成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart Sign in  
Chemical Structure| 2915-53-9 Chemical Structure| 2915-53-9

Structure of 2915-53-9

Chemical Structure| 2915-53-9

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

{[proInfo.proName]}

CAS No.: 2915-53-9

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Product Citations

Han, Xuexiang ; Xu, Ying ; Ricciardi, Adele ; Xu, Junchao ; Palanki, Rohan ; Chowdhary, Vivek , et al.

Abstract: mRNA-based gene editing therapeutics offer the potential to permanently cure diseases but are hindered by suboptimal delivery platforms. Here, we devise a robust combinatorial chemistry for plug-and-play assembly of diverse biodegradable ionizable lipids and identify a lead candidate that produces superior lipid nanoparticles for various gene editing tools delivery in vivo. Our study highlights the utility of this synthetic approach and the generality of this platform for potent in vivo gene editing.

Purchased from AmBeed: ; ; ; ;

Alternative Products

Product Details of [ 2915-53-9 ]

CAS No. :2915-53-9
Formula : C20H36O4
M.W : 340.50
SMILES Code : O=C(OCCCCCCCC)/C=C\C(OCCCCCCCC)=O
MDL No. :MFCD00072705
InChI Key :TVWTZAGVNBPXHU-NXVVXOECSA-N
Pubchem ID :6433353

Safety of [ 2915-53-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Computational Chemistry of [ 2915-53-9 ] Show Less

Physicochemical Properties

Num. heavy atoms 24
Num. arom. heavy atoms 0
Fraction Csp3 0.8
Num. rotatable bonds 18
Num. H-bond acceptors 4.0
Num. H-bond donors 0.0
Molar Refractivity 100.35
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

52.6 ?2

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

4.83
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

7.04
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

5.35
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

4.01
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

6.15
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

5.48

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-5.2
Solubility 0.00216 mg/ml ; 0.00000633 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Moderately soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-7.96
Solubility 0.00000372 mg/ml ; 0.0000000109 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Poorly soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-5.76
Solubility 0.000596 mg/ml ; 0.00000175 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Moderately soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

 High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

 Yes
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

 No
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

 No
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

 No
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

 No
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

 No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

 No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-3.38 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

 0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

 None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

 1.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

 0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

 2.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.55

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

2.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

 No; 1 violation:MW<2.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

 3.57

Application In Synthesis of [ 2915-53-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 2915-53-9 ]

[ 2915-53-9 ] Synthesis Path-Downstream   1~17

  • 1
  • [ 2915-53-9 ]
  • [ 141-43-5 ]
  • [ 54046-34-3 ]
  • 2
  • [ 2915-53-9 ]
  • [ 67-63-0 ]
  • [ 77666-63-8 ]
  • diaterebic acid dioctylester [ No CAS ]
  • [ 77666-67-2 ]
  • 3
  • [ 112-35-6 ]
  • [ 2370-71-0 ]
  • [ 2915-53-9 ]
  • (Z)-But-2-enedioic acid 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethyl ester octyl ester [ No CAS ]
  • 4
  • [ 108-31-6 ]
  • [ 111-87-5 ]
  • [ 2370-71-0 ]
  • [ 2915-53-9 ]
  • 9
  • [ 111-87-5 ]
  • octyloctanoate [ No CAS ]
  • [ 2915-53-9 ]
  • 10
  • [ 311-28-4 ]
  • [ 110-17-8 ]
  • [ 2915-53-9 ]
YieldReaction ConditionsOperation in experiment
With potassium hydroxide; In chloroform; 1-bromo-hexane; water; Petroleum ether; (ii) Preparation of Hexyl/Octyl Maleate/Fumarate Monooctyl maleic/fumaric acid (88 g, 0.39 mole) was dissolved in chloroform (200 ml) and was stirred in a 1 L Erlenmeyer (Quick Fit) flask, fitted with condenser, with a solution of potassium hydroxide (21 g, 0.38 mole) and tetrabutyl ammonium iodide (15 g, 0.04 mole) in 200 mls of water. To the stirred mixture was added hexyl bromide 64 g, 0.39 mole) and the two phase mixture was stirred rapidly under reflux for 5 hours. The chloroform layer was separated off, washed with sodium carbonate solution, then with water, and then dried over sodium sulphate. After filtering and evaporating the resulting oil was treated with 30/40 petroleum ether which precipitated the catalyst which could be reused. Filtration/evaporation yielded the crude product as an oil (77 g). Distillation in vacuo removed 13.1 g hexyl bromide. The yield of undistilled material was 59.3 g (62percent based on hexyl bromide).
  • 11
  • sodium metabisulfite [ No CAS ]
  • [ 2915-53-9 ]
  • [ 2373-23-1 ]
YieldReaction ConditionsOperation in experiment
In water; (iii) Preparation of Hexyl/Octyl Sulphosuccinate Hexyl/octyl maleate/fumarate (50 g, 0.16 mole) was dissolved in methylated spirit (100 ml) and the pH of the mixture was adjusted to about 7.5 with sodium carbonate. The mixture was stirred under reflux for 5 hours with a solution of sodium metabisulphite (60 g) in water (160 ml) in a 3-necked round bottom flask fitted with stirrer and condenser. The hot solution was filtered and set to crystallise. The crude crystals were filtered off, dried and extracted with boiling ethanol. The residual inorganics were filtered off. Evaporation of the filtrate yielded the product as a glassy solid (20 g) which failed to recrystallise from acetone or ethanol. This material contained 92percent detergent-active material and 1.5percent non-detergent organic matter. It had infra-red peaks at 1735 cm-1 (C=O) and 1210-1240 cm-1 (SO3 Na) and was also identified by 1 H NMR.
  • 12
  • [ 2915-53-9 ]
  • [ 14814-09-6 ]
  • C29H58O7SSi [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium tert-butylate; In toluene; at 0 - 20℃; for 1.0h; Example 21; Preparation of compound 190; To a suspension of 20 mg (0.17 mmol) of potassium tert-butanolate in 40 ml of dry toluene is added dropwise under nitrogen at 0°C 4.13 g (17.3 mmol) of 3-mercapto-propyltriethoxysi- lane, followed by the dropwise addition of 5.89 g (17.3 mmol) of <strong>[2915-53-9]dioctyl maleate</strong>. The reaction mixture is stirred for one hour at room temperature. Water is then added and the product is extracted with ethyl acetate. The organic phase is washed with H2O, NaCI, dried over sodium sulfate, filtered and evaporated to dryness using a rotary evaporator to afford 9.80 g of compound 190 as colourless liquid. 1H-NMR (300 MHz, CDCI3): delta = 4.20-4.00 (m, CO2CH2, 4H); 3.90-3.75 (m, SiOCH2, 6H); 3.70-3.60 (m, SCHCO2, 1 H); 3.10-2.95 (m, SCHCH2CO2, 1 H); 2.70-2.60 (m, SCHCH2CO2 + SCH2, 3H); 1.80-1.55 (m, SCH2CH2 + CO2CH2CH2, 6H); 1.55-1.15 (m, SiOCH2CH3 + CH2, 29H); 1.00-0.80 (m, CH3, 6H); 0.80-0.65 (m, SiCH2, 2H).
  • 13
  • [ 108-31-6 ]
  • [ 111-87-5 ]
  • [ 2915-53-9 ]
  • [ 2997-85-5 ]
  • 14
  • [ 1073-31-0 ]
  • [ 2915-53-9 ]
  • [ 1553995-25-7 ]
  • 15
  • [ 2915-53-9 ]
  • [ 108-94-1 ]
  • C18H30O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With C12H23O2(1-)*Cu(1+)*H2O; diethylzinc; 1,2-bis-(diphenylphosphino)ethane; In 5,5-dimethyl-1,3-cyclohexadiene; at 30℃; for 0.25h;Inert atmosphere; Under a nitrogen atmosphere, Cu (O2C (CH2) 10CH3) 2 H2O (1.3 mg), an organic phosphineLigand Ph2P (CH2) 2PPh2 (2.3 mg), xylene (4.0 mL), <strong>[2915-53-9]dioctyl maleate</strong> (201 mg) and cyclohexanoneMaintaining the temperature to 30 ° C, diethylzinc in hexane (17percent w / w, 1.7 mL) was added and stirred for 15 min. Saturated aqueous ammonium chloride solution (2.0 mL) and dilute hydrochloric acid (2 mol / L, 1.0 mL) were added. The phases were separated and the aqueous filtrate was extracted with ethyl acetate (3 × 5.0 mL). The combined organic phases were washed with saturated brine (3.0 mL), dried over anhydrous sodium sulfate and concentrated. The residue was purified by column chromatographyOxo-1-oxaspiro [4.5] decane 4-carboxylic acid octyl ester of beta-methoxycarbonyl-gamma-butyrolactone structureIsomer mixture (127 mg, 70percent yield).
  • 16
  • [ 2915-53-9 ]
  • [ 1564258-91-8 ]
  • dioctyl 3,4-cis-2-acetyl-5-(trifluoromethyl)pyrazolidine-3,4-dicarboxylate [ No CAS ]
  • dioctyl 3,4-trans-2-acetyl-5-(trifluoromethyl)pyrazolidine-3,4-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In toluene; for 30.0h;Reflux; General procedure: A mixture of trifluoromethylated N-acylhydrazone 1 or 6 (0.20 mmol), dimethyl maleate (2; 58 mg, 0.40 mmol) and K2CO3 (1. 4 mg, 0.01 mmol) in toluene (5 mL) was stirred at reflux for 30?40 h and monitored by TLC until the starting material could not be detected. Toluene was removed under vacuum and sat. aq NH4Cl (10 mL) was added to the reaction mixture and stirred for 10 min, and then the mixture was extracted with EtOAc (3 × 10 mL). The combined organic extracts were dried (MgSO4) and concentrated. Purification of the residue by silica gel column chromatography using PE/EtOAc (2:1) as eluent furnished the product 3 or 7, respectively. The isomers could not be fully separated by silica gel chromatography. One of the isomers could be isolated by recrystallization, except for 3pa and 3pa?, 3xa and 3xa?, 3ya and 3ya?, 7e and 7e?.
  • 17
  • [ 2915-53-9 ]
  • C10H9F3N2O [ No CAS ]
  • dioctyl 3,4-cis-2-(2-methylbenzoyl)-5-(trifluoromethyl)pyrazolidine-3,4-dicarboxylate [ No CAS ]
  • dioctyl 3,4-trans-2-(2-methylbenzoyl)-5-(trifluoromethyl)pyrazolidine-3,4-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In toluene; for 30.0h;Reflux; General procedure: A mixture of trifluoromethylated N-acylhydrazone 1 or 6 (0.20 mmol), dimethyl maleate (2; 58 mg, 0.40 mmol) and K2CO3 (1. 4 mg, 0.01 mmol) in toluene (5 mL) was stirred at reflux for 30?40 h and monitored by TLC until the starting material could not be detected. Toluene was removed under vacuum and sat. aq NH4Cl (10 mL) was added to the reaction mixture and stirred for 10 min, and then the mixture was extracted with EtOAc (3 × 10 mL). The combined organic extracts were dried (MgSO4) and concentrated. Purification of the residue by silica gel column chromatography using PE/EtOAc (2:1) as eluent furnished the product 3 or 7, respectively. The isomers could not be fully separated by silica gel chromatography. One of the isomers could be isolated by recrystallization, except for 3pa and 3pa?, 3xa and 3xa?, 3ya and 3ya?, 7e and 7e?.
 

Related Products

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 2915-53-9 ]

Alkenyls

Chemical Structure| 105-76-0

A714873 [105-76-0]

Dibutyl maleate

Similarity: 0.96

Chemical Structure| 36840-85-4

A146184 [36840-85-4]

Pentane-1,5-diyl diacrylate

Similarity: 0.89

Chemical Structure| 2459-05-4

A145377 [2459-05-4]

(E)-4-Ethoxy-4-oxobut-2-enoic acid

Similarity: 0.86

Chemical Structure| 638-10-8

A466900 [638-10-8]

Ethyl 3-methylbut-2-enoate

Similarity: 0.83

Chemical Structure| 27829-72-7

A847408 [27829-72-7]

Ethyl (E)-hex-2-enoate

Similarity: 0.81

Aliphatic Chain Hydrocarbons

Chemical Structure| 105-76-0

A714873 [105-76-0]

Dibutyl maleate

Similarity: 0.96

Chemical Structure| 36840-85-4

A146184 [36840-85-4]

Pentane-1,5-diyl diacrylate

Similarity: 0.89

Chemical Structure| 2459-05-4

A145377 [2459-05-4]

(E)-4-Ethoxy-4-oxobut-2-enoic acid

Similarity: 0.86

Chemical Structure| 638-10-8

A466900 [638-10-8]

Ethyl 3-methylbut-2-enoate

Similarity: 0.83

Chemical Structure| 27829-72-7

A847408 [27829-72-7]

Ethyl (E)-hex-2-enoate

Similarity: 0.81

Esters

Chemical Structure| 105-76-0

A714873 [105-76-0]

Dibutyl maleate

Similarity: 0.96

Chemical Structure| 36840-85-4

A146184 [36840-85-4]

Pentane-1,5-diyl diacrylate

Similarity: 0.89

Chemical Structure| 2459-05-4

A145377 [2459-05-4]

(E)-4-Ethoxy-4-oxobut-2-enoic acid

Similarity: 0.86

Chemical Structure| 638-10-8

A466900 [638-10-8]

Ethyl 3-methylbut-2-enoate

Similarity: 0.83

Chemical Structure| 497-23-4

A134936 [497-23-4]

Furan-2(5H)-one

Similarity: 0.83