Elvitegravir, quinolone HIV integrase inhibitor

주요 정보

CAS 번호

697761-98-1

Purity

>99%

제형

Solid

form

Molecular weight

447.9 Da

Molecular formula

C₂₃H₂₃ClFNO₅

PubChem

5277135

Nature

Synthetic

Solubility

Soluble in DMSO to 10mg/ml

Soluble in dimethyl formamide to 20mg/ml

생화학적 명칭

Elvitegravir

생물학적 정보

Elvitegravir is an inhibitor of HIV integrase. It inhibits HIV integrase from HIV 1 IIIB (IC₅₀ = 0.7 nM), HIV 2 EHO (IC₅₀ = 2.8 nM) and HIV-2 ROD (IC₅₀ = 1.1 nM) in cell free assays. Elvitegravir blocks integration of HIV cDNA via inhibition of DNA strand transfer. Active against a range of HIV sub-types and against mulit-drug resistant clinical isolates. Potent (IC₅₀ range = 0.21 - 1.15 nM) HIV antiviral activity in various cell-based assays.

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

Isomeric SMILES

CC(C)[C@@H](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

IUPAC Name

6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid