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| 1271-47-2 Chemical Structure| 1271-47-2

Structure of 1271-47-2

Chemical Structure| 1271-47-2

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

{[proInfo.proName]}

CAS No.: 1271-47-2

,{[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

Brandaise Martinez ; Yann R. Leroux ; Philippe Hapiot ; Charles S. Henry ;

Abstract: Cu(I)-catalyzed 1,3-dipolar cycloaddition (CuAAC), also known as click chemistry, has been demonstrated to be highly robust while providing versatile surface chemistry. One specific application is biosensor fabrication. Recently, we developed thermoplastic electrodes (TPEs) as an alternative to traditional carbon composite electrodes in terms of cost, performance, and robustness. However, their applications in biosensing are currently limited due to a lack of facile methods for electrode modification. Here, we demonstrate the feasibility of using CuAAC following the diazonium grafting of TPEs to take advantage of two powerful technologies for developing a customizable and versatile biosensing platform. After a stepwise characterization of the electrode modification procedures was performed, electrodes were modified with model affinity reagents. Streptavidin and streptavidin-conjugated IgG antibodies were successfully immobilized on the TPE surface, as confirmed by electrochemical impedance spectroscopy and X-ray photoelectron spectroscopy.

Keywords: biosensor ; electrode modification ; carbon composite electrodes ; electrochemical sensor ; click chemistry

Purchased from AmBeed: ;

Alternative Products

Product Details of [ 1271-47-2 ]

CAS No. :1271-47-2
Formula : C12H10Fe
M.W : 210.05
SMILES Code : C#C[C-]12[CH]3=[CH]4[CH]5=[CH]1[Fe+2]45326789[CH]%10=[CH]6[CH-]7[CH]8=[CH]%109
MDL No. :MFCD03701501

Safety of [ 1271-47-2 ]

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

Computational Chemistry of [ 1271-47-2 ] Show Less

Physicochemical Properties

Num. heavy atoms 13
Num. arom. heavy atoms 0
Fraction Csp3 0.17
Num. rotatable bonds 2
Num. H-bond acceptors 0.0
Num. H-bond donors 0.0
Molar Refractivity 51.84
TPSA ?

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

0.0 ?2

Lipophilicity

Log Po/w (iLOGP)?

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

0.0
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

2.9
Log Po/w (WLOGP)?

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

2.98
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.

3.57
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

1.11
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

2.11

Water Solubility

Log S (ESOL):?

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

-2.84
Solubility 0.305 mg/ml ; 0.00145 mol/l
Class?

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

Soluble
Log S (Ali)?

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

-2.56
Solubility 0.578 mg/ml ; 0.00275 mol/l
Class?

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

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

-0.82
Solubility 31.5 mg/ml ; 0.15 mol/l
Class?

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

Soluble

Pharmacokinetics

GI absorption?

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

 Low
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.

-5.52 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

 0.0
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

 1.0
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<1.0
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)

 4.59

Application In Synthesis of [ 1271-47-2 ]

* 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 [ 1271-47-2 ]

[ 1271-47-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1271-47-2 ]
  • [ 4181-20-8 ]
  • 4,4',4''-tris(ferrocenylethynyl)triphenylamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
95% With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine; In tetrahydrofuran; at 50℃; for 5h;Inert atmosphere; To asolution of 1 (946 mg, 4.50mmol), <strong>[4181-20-8]tris(4-iodophenyl)amine</strong>(632 mg, 1.00mmol), and CuI (57 mg, 0.30mmol) in triethylamine(10 mL) and THF (10 mL) was added tetrakis(triphenylphosphine)palladium(0) (90 mg, 0.08mmol). The resultingmixture was stirred at 50 °C for 5 h under an Ar atmosphere.The reaction mixture was poured into a 10percent NH4Cl solutionand extracted with CH2Cl2. The organic layer was washed withbrine, dried with Na2SO4, and concentrated under reducedpressure. The residue was purified by column chromatographyon silica gel with CH2Cl2 to give 5 (828 mg, 95percent) as orangecrystals. Mp 158.0-161.0°C, decomp. (CH2Cl2); Melting point is not shown in the literature;12 1HNMR (500 MHz, CDCl3): deltaH 7.37 (d, 6H, J = 8.5 Hz, 3,3,3-H of C6H4), 7.03 (d, 6H, J =8.5 Hz, 2,2,2-H of C6H4), 4.48 (dd, 6H, J = 2.0, 2.0 Hz, Fc),4.24 (s, 15H, Cp), 4.23 (dd, 6H, J = 2.0, 2.0 Hz, Fc).
  • 2
  • [ 1271-47-2 ]
  • [ 66127-01-3 ]
  • 3-(2-ferrocenylethynyl)-1,10-phenanthroline [ No CAS ]
YieldReaction ConditionsOperation in experiment
66% With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In methanol; benzene; for 12h;Reflux; Inert atmosphere; Synthesis of 3-(2-ferrocenylethynyl)-1,10-phenanthroline (L2): A mixture of <strong>[66127-01-3]<strong>[66127-01-3]3-bromo-1,10-phenanthrolin</strong>e</strong> (120 mg, 0.46 mmol), ethynylferrocene (80 mg, 0.38 mmol), (PPh3)2PdCl2 (10 mg), CuI (8 mg) and Et3N (1 mL) in benzene (30 mL) and methanol (5 mL) was heated to reflux for 12 h under nitrogen atmosphere. Then the solvent was evaporated under reduced pressure, the residue was purified by column chromatography on silica, being eluted with CHCl3 to afford the desired product as an orange solid. Yield: 98 mg (66 %). 1H NMR (400 MHz, CDCl3): delta = 4.31 (s, 5H), 4.33 (s, 2H), 4.60 (s, 2H), 7.67 (t, J = 11.4 Hz, 1H), 7.69-7.86 (m, 2H), 8.26 (d, J = 6.8 Hz, 1H), 8.34 (s, 1H), 9.22 (d, J = 11.2 Hz,2H). ESI-HRMS: m/z 388.0657 (M+).
 

Related Products

Historical Records

Categories