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[ CAS No. 487-70-7 ] {[proInfo.proName]}

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Chemical Structure| 487-70-7
Chemical Structure| 487-70-7
Structure of 487-70-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 487-70-7 ]

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Product Citations

Product Citations

Lulu Xue ; Alex G. Hamilton ; Gan Zhao , et al. DOI: PubMed ID:

Abstract: nanoparticles for delivering mRNA therapeutics hold immense promise for the treatment of a wide range of lung-associated diseases. However, the lack of effective methodologies capable of identifying the pulmonary delivery profile of chemically distinct libraries poses a significant obstacle to the advancement of mRNA therapeutics. Here we report the implementation of a barcoded high-throughput screening system as a means to identify the lung-targeting efficacy of cationic, degradable lipid-like materials. We combinatorially synthesize 180 cationic, degradable lipids which are initially screened in vitro. We then use barcoding technology to quantify how the selected 96 distinct nanoparticles deliver DNA barcodes in vivo. The top-performing nanoparticle formulation delivering Cas9-based genetic editors exhibits therapeutic potential for antiangiogenic cancer therapy within a lung in female mice. These data demonstrate that employing high-throughput barcoding technology as a screening tool for identifying nanoparticles with lung tropism holds potential for the development of next-generation extrahepatic delivery platforms.

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Product Details of [ 487-70-7 ]

CAS No. :487-70-7 MDL No. :MFCD00003329
Formula : C7H6O4 Boiling Point : -
Linear Structure Formula :C6H2(OH)3CHO InChI Key :BTQAJGSMXCDDAJ-UHFFFAOYSA-N
M.W : 154.12 Pubchem ID :68099
Synonyms :

Calculated chemistry of [ 487-70-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 37.9
TPSA : 77.76 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.62 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.88
Log Po/w (XLOGP3) : 0.87
Log Po/w (WLOGP) : 0.62
Log Po/w (MLOGP) : -0.41
Log Po/w (SILICOS-IT) : 0.55
Consensus Log Po/w : 0.5

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.68
Solubility : 3.21 mg/ml ; 0.0208 mol/l
Class : Very soluble
Log S (Ali) : -2.09
Solubility : 1.26 mg/ml ; 0.00819 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.6
Solubility : 38.3 mg/ml ; 0.248 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 487-70-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 487-70-7 ]

* 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 [ 487-70-7 ]

[ 487-70-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 548-83-4 ]
  • [ 487-70-7 ]
  • [ 65-85-0 ]
  • 2
  • [ 6099-90-7 ]
  • [ 68-12-2 ]
  • [ 487-70-7 ]
YieldReaction ConditionsOperation in experiment
98% With trichlorophosphate; In ethyl acetate; at 20.0℃; for 1.0h;Cooling with ice; In a 1 L single-necked flask, <strong>[6099-90-7]phloroglucinol dihydrate</strong> (38.6 g, 0.238 mol), DMF (55.03 mL, 0.714 mol), ethyl acetate (450 mL),Phosphorus oxychloride (66.32 mL, 0.714 mol) was slowly added dropwise under ice bath.After the addition, transfer to room temperature for 1 h, filter, wash with ethyl acetate, place the filter cake in a 500 mL single-necked flask, add water (150 mL), protect with nitrogen, warm to reflux and maintain for 10 min, then cool to room temperature and then refrigerate in the refrigerator. 1h,Filter, wash with water, collect the filter cake and dry in vacuo without further purification.A white solid was obtained in 36 g, yield 98%.
  • 3
  • [ 487-70-7 ]
  • [ 7474-78-4 ]
  • 2-(2,4,6-trihydroxyphenyl)-1H-benzo[d]imidazole-5-sulfonic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With sodium metabisulfite; In ethanol; water; for 24h;Reflux; General procedure: To a solution of the appropriate 3,4-diaminobenzene derivative (1ad)(2 mmol) in ethanol (15 mL) 2.85 N aqueous solution of sodium metabisulphite (1.6 mL) and the appropriate substituted arylaldehyde(2 mmol) were added. The reaction mixture was heated at reflux for 24 h. The solvent was then evaporated under reduced pressure. The residue was added with HCl 1 N (10 mL), the formed precipitate was filtered off, washed with water (3×10 mL) and purified by crystallization from the adequate solvent to give the title compounds.Following the general procedure benzimidazoles 3 [19], 4 [20], 5 [21],7 [24], 6, 32 and 33 [15] were prepared and their analytical and spectral data are in agreement with those reported in literature.
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Technical Information

? Acidity of Phenols ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Chan-Lam Coupling Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Chaykovsky Reaction ? Corey-Fuchs Reaction ? Electrophilic Substitution of the Phenol Aromatic Ring ? Etherification Reaction of Phenolic Hydroxyl Group ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? Grignard Reaction ? Halogenation of Phenols ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Julia-Kocienski Olefination ? Knoevenagel Condensation ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mukaiyama Aldol Reaction ? Nozaki-Hiyama-Kishi Reaction ? Oxidation of Phenols ? Passerini Reaction ? Paternò-Büchi Reaction ? Pechmann Coumarin Synthesis ? Petasis Reaction ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reformatsky Reaction ? Reimer-Tiemann Reaction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Stetter Reaction ? Stobbe Condensation ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
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