Chemistry:Brecanavir

Brecanavir
Clinical data
ATC code	none;
Identifiers
	IUPAC name [(3R,3aS,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[5,4-b]furan-3-yl] N-[(2S,3R)-4-(1,3-benzodioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;
CAS Number	313682-08-5 ;
PubChem CID	5743186;
ChemSpider	4675192 ;
UNII	E367I8C7FI;
ChEMBL	ChEMBL206031 ;
Chemical and physical data
Formula	C33H41N3O10S2
Molar mass	703.82 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=S(=O)(c2ccc1OCOc1c2)N(CC(C)C)C[C@@H](O)[C@@H](NC(=O)O[C@@H]3[C@@H]4CCO[C@@H]4OC3)Cc6ccc(OCc5nc(sc5)C)cc6;
	InChI InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1 ; Key:JORVRJNILJXMMG-OLNQLETPSA-N ;
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Short description: Chemical compound

Brecanavir (INN; codenamed GW640385) is a protease inhibitor which has been studied for the treatment of HIV.^[1]

In December 2006, its developer, GlaxoSmithKline discontinued further development because of insurmountable issues regarding formulation.^[2]

References

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Original source: https://en.wikipedia.org/wiki/Brecanavir. Read more

Clinical data

ATC code	none
Identifiers
IUPAC name [(3R,3aS,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[5,4-b]furan-3-yl] N-[(2S,3R)-4-(1,3-benzodioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate
CAS Number	313682-08-5^N
PubChem CID	5743186
ChemSpider	4675192^Y
UNII	E367I8C7FI
ChEMBL	ChEMBL206031^Y
Chemical and physical data
Formula	C₃₃H₄₁N₃O₁₀S₂
Molar mass	703.82 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=S(=O)(c2ccc1OCOc1c2)N(CC(C)C)C[C@@H](O)[C@@H](NC(=O)O[C@@H]3[C@@H]4CCO[C@@H]4OC3)Cc6ccc(OCc5nc(sc5)C)cc6
InChI InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1^Y Key:JORVRJNILJXMMG-OLNQLETPSA-N^Y
^NY (what is this?) (verify)