Bictegravir

Bictegravir
Identifiers
	IUPAC name (1S,11R,13R)-5-Hydroxy-3,6-dioxo-N-(2,4,6-trifluorobenzyl)-12-oxa-2,9-diazatetracyclo[11.2.1.0~2,11~.0~4,9~]hexadeca-4,7-diene-7-carboxamide;
CAS Number	1611493-60-7;
PubChem CID	90311989;
ChemSpider	44208822;
Chemical and physical data
Formula	C21H18F3N3O5
Molar mass	449.39 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES c1c(cc(c(c1F)CNC(=O)c2cn3c(c(c2=O)O)C(=O)N4[C@H]5CC[C@H](C5)O[C@@H]4C3)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; Key:SOLUWJRYJLAZCX-LYOVBCGYSA-N;

Bictegravir (INN; formerly known as GS-9883)^[1]^[2] is an investigational new drug of the integrase inhibitor class that was discovered by scientists at Gilead Sciences; in vitro and clinical results were presented by Gilead in the summer of 2016.^[3] 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^[4] and the combination drug bictegravir/emtricitabine/tenofovir alafenamide (Biktarvy) was approved for use in the United States in 2018.^[5]

References

Identifiers

IUPAC name (1S,11R,13R)-5-Hydroxy-3,6-dioxo-N-(2,4,6-trifluorobenzyl)-12-oxa-2,9-diazatetracyclo[11.2.1.0~2,11~.0~4,9~]hexadeca-4,7-diene-7-carboxamide
CAS Number	1611493-60-7
PubChem CID	90311989
ChemSpider	44208822
Chemical and physical data
Formula	C₂₁H₁₈F₃N₃O₅
Molar mass	449.39 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES c1c(cc(c(c1F)CNC(=O)c2cn3c(c(c2=O)O)C(=O)N4[C@H]5CC[C@H](C5)O[C@@H]4C3)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 Key:SOLUWJRYJLAZCX-LYOVBCGYSA-N