Elvitegravir

Category	HIV Integrase
CAS	697761-98-1
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.

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Product Information

Synonyms	GS-9137; GS 9137; GS9137; JTK-303; JTK 303; JTK303; EVG; D06677; D 06677; D-06677
IUPAC Name	6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
Molecular Weight	447.88
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
Boiling Point	623.6±55.0 °C at 760 mmHg
Melting Point	93-96°C
Flash Point	330.9±31.5 °C
Purity	≥98%
Density	1.4±0.1 g/cm3
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
Complexity	702
Exact Mass	447.1248787
Index Of Refraction	1.603
In Vitro	Elvitegravir (EVG) blocks the integration of HIV-1 cDNA through the inhibition of DNA strand transfer. Elvitegravir exerts potent anti-HIV activity against not only wild-type strains but also drug-resistant clinical isolates. Elvitegravir also shows antiviral activity against murine leukemia virus (MLV) and simian immunodeficiency virus (SIV). Elvitegravir shows potent antiviral activity against three laboratory strains of HIV, with EC50 values in the subnanomolar to nanomolar range. Elvitegravir suppresses the replication of HIV-1 clinical isolates carrying NRTI, NNRTI, and PI resistance-associated genotypes, as did a control IN inhibitor, the compound L-870,810. The cytotoxicities of these inhibitors are also determined using an MTT colorimetric assay. Mean values for the concentration that suppresses the viability of target cells by 50% for Elvitegravir and L-870,810 in PBMC obtained from three independent donors are 4.6±0.5 μM and 2.7±0.6 μM, respectively. Thus, Elvitegravir can suppress various HIV strains, including diverse HIV-1 subtypes and clinical isolates carrying multiple mutations associated with resistance to currently approved antiretroviral drugs.
PSA	88.76000
Target	IC50: 0.7 nM (HIV-1IIIB), 2.8 nM (HIV-2EHO), 1.4 nM(HIV-2ROD)
Vapor Pressure	0.0±1.9 mmHg at 25°C
XLogP3-AA	5.3