Cabotegravir (GSK744, GSK1265744)

Category	HIV Integrase
CAS	1051375-10-0
Description	Cabotegravir (GSK744, GSK1265744) is a long-acting HIV integrase inhibitor against a broad range of HIV subtypes, and inhibits the HIV-1 integrase catalyzed strand transfer reaction with IC50 of 3.0 nM. Phase 2.

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Synonyms	S/GSK1265744; S/GSK 1265744; S/GSK-1265744; GSK744; GSK-744; GSK 744; Cabotegravir.
IUPAC Name	(3R,6S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
Molecular Weight	405.35
Molecular Formula	C19H17F2N3O5
Canonical SMILES	CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
InChI	InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1
InChIKey	WCWSTNLSLKSJPK-LKFCYVNXSA-N
Boiling Point	664.0±55.0 °C at 760 mmHg
Flash Point	355.4±31.5 °C
Purity	>98%
Density	1.6±0.1 g/cm3
Solubility	In Vitro: DMSO : 16.67 mg/mL(41.12 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 1.67 mg/mL (4.12 mM); Clear solution
Appearance	White to off-white (Solid)
Application	HIV Integrase Inhibitors
Storage	Store at -20°C
Complexity	814
Exact Mass	405.11362698
Index Of Refraction	1.661
PSA	104.36000
Target	HIV; HIV Integrase
Vapor Pressure	0.0±2.1 mmHg at 25°C
XLogP3-AA	2.1