Bictegravir

Category	HIV Integrase
CAS	1611493-60-7
Description	Bictegravir is a novel, potent inhibitor of HIV-1 integrase with an IC50 of 7.5 nM for strand transfer activity. Bictegravir is a drug of the integrase inhibitor class that was copied from Dolutegravir by scientists at Gilead Sciences. Bictegravir also inhibits HIV-1 viral infection in MT-2 and MT-4 cells, CD4+ T cells, and macrophages (EC50s = 1.5, 2.5, 1.5, and 6.6 nM, respectively) without exhibiting cytotoxicity (CC50s = 10.3, 3.7, 13, and 29.8 μM, respectively). In 2016, bictegravir was in a Phase 3 trial as part of a single tablet regimen in combination with tenofovir alafenamide (TAF) and emtricitabine (FTC) for the treatment of HIV-1 infection.

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Synonyms	GS-9883; GS 9883; GS9883
Molecular Weight	449.39
Molecular Formula	C21H18F3N3O5
Canonical SMILES	C1CC2CC1N3C(O2)CN4C=C(C(=O)C(=C4C3=O)O)C(=O)NCC5=C(C=C(C=C5F)F)F
InChI	InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1
InChIKey	SOLUWJRYJLAZCX-LYOVBCGYSA-N
Boiling Point	682.5±55.0 °C at 760 mmHg
Flash Point	366.6±31.5 °C
Purity	≥98%
Density	1.62±0.1 g/cm3
Solubility	Soluble in DMSO.
Appearance	Off-white to yellow powder
Storage	2-8°C
Complexity	912
Exact Mass	449.11985517
Index Of Refraction	1.664
In Vitro	Bictegravir (BIC) inhibits chain transfer activity with an IC50 of 7.5±0.3 nM. Bictegravir enhanced the accumulation of the 2-LTR ring by ~5 times relative to the control of the simulation treatment, and reduced the amount of true integration products in infected cells by a factor of 100. Bictegravir effectively inhibits HIV-1 replication in MT-2 and MT-4 cells, EC50 is 1.5 and 2.4 nM, respectively. Bictegravir exhibits potent antiviral effects in both primary CD4+ T lymphocytes and monocyte-derived macrophages, EC50 is 1.5±0.3 nM and 6.6±4.1 nM, respectively, comparable to the values obtained in T cell lines.
Target	IC50: 7.5 nM (HIV-1 integrase)
Vapor Pressure	0.0±2.2 mmHg at 25°C
XLogP3-AA	2.7