BGC > Product Search > (S)-6-(3-Chloro-2-fluorobenzyl)-1-(1-hydroxy-2,3-dimethylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 697761-98-1

Molecular Formula: C23H23ClFNO5
Molecular Weight: 447.888

Description:
Elvitegravir is an HIV-1 integrase strand transfer inhibitor (INSTI) for HIV-1 IIIB, HIV-2 EHO and HIV-2 ROD with IC50 of 0.7 nM, 2.8 nM and 1.4 nM, respectively.

• Molecular Weight:447.88
• Boiling Point:623.6±55.0 °C at 760 mmHg
• Melting Point:93-96°C
• Purity:≥98%

Molecular Formula:
C23H23ClFNO5
Canonical SMILES:
CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O
InChI:
InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
InChIKey:
JUZYLCPPVHEVSV-LJQANCHMSA-N
Solubility:
In Vitro: DMSO : 250 mg/mL(558.19 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: 2.5 mg/mL (5.58 mM); Suspended solution; Need ultrasonic 2.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.08 mg/mL (4.64 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.08 mg/mL (4.64 mM); Clear solution
Appearance:
Off-White to Pale Yellow Solid
Application:
Anti-Retroviral Agents
Storage: Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Synonyms:
GS-9137; GS 9137; GS9137; JTK-303; JTK 303; JTK303; EVG; D06677; D 06677; D-06677

Purity: 98%
Smile code: O=C(C1=CN([C@@H](C(C)C)CO)C2=C(C=C(CC3=CC=CC(Cl)=C3F)C(OC)=C2)C1=O)O
MDL Number: MFCD11846135
MolFormula: C23H23ClFNO5
MolWeight: 447.8838
Available in stock: 9.411

Smile code:
O=C(C1=CN([C@@H](C(C)C)CO)C2=C(C=C(CC3=CC=CC(Cl)=C3F)C(OC)=C2)C1=O)O
MDL Number:
MFCD11846135
Purity :
98%
Available in stock:
15.949 g