SML3672

Elvitegravir

≥98% (HPLC)

• Synonym(s): 6-(3-chloro-2-fluorobenzyl)-1-[(S)-1-hydroxymethyl-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, GS 9137, GS-9137, GS9137, JTK 303, JTK-303, JTK303
• Empirical Formula (Hill Notation): C₂₃H₂₃ClFNO₅
• CAS Number: 697761-98-1
• Molecular Weight: 447.88
• UNSPSC Code: 51111800
• NACRES: NA.25
• MDL number: MFCD11846134
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• optical activity: [α]/D -26 to -34°, c = 0.5 in methanol
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: -10 to -25°C
• SMILES string: Fc1c(cccc1Cc2cc3c([n](cc([c]3=O)C(=O)O)[C@H](CO)C(C)C)cc2OC)Cl
• 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
• InChI key: JUZYLCPPVHEVSV-LJQANCHMSA-N

Description

Biochem/physiol Actions

Elvitegravir (JTK-303; GS-9137) is an orally active human immunodeficiency virus type 1 (HIV-1) integrase inhibitor that prevents HIV-1 replication (EC50 = 0.9 nM using HTLV-I transformed T4-cell line MT-4) by blocking viral DNA to host DNA strand transfer (IC50 = 7.2 nM by cell-free assays).

Orally active human immunodeficiency virus type 1 (HIV-1) integrase strand transfer inhibitor.

Safety Information

• pictograms: GHS09
• signalword: Warning
• hcodes: H410
• pcodes: P273 - P391 - P501
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 2
• Storage Class: 11 - Combustible Solids
• flash_point_f: Not applicable
• flash_point_c: Not applicable