HIV-1 inhibitor-60

Category	Human immunodeficiency Virus (HIV)
CAS	1443461-21-9
Description	GSK2838232 is a novel human immune virus (HIV) maturation inhibitor being developed for the treatment of chronic HIV infection. GSK2838232 is a betulin derivative. .

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Synonyms	1443461-21-9;HIV-1 inhibitor-60;HIV Inhibitor GSK2838232;SCHEMBL15038672;EX-A202;HIV Inhibitor GSK2838232?;BDBM271422;BCP07297;US10064873, Example 45;GSK 2838232;AC-33624;HY-108255;CS-0027803;A926344;4- (((3aR,5aR,5bR,7aR, 9S,11aR,11bR,13aS)- 3a-((R)-2-((3- Chlorobenzyl)(2- (dimethylamino)ethyl) amino)-1-hydroxyethyl)- 1-isopropyl- 5a,5b,8,8,11a- pentamethyl-2-oxo- 3,3a,4,5,5a,5b,6,7,7a, 8,9,10,11,11a,11b,12, 13,13a- octadecahydro-2H- cyclopenta[a]chrysen- 9-yl)oxy)-2,2-dimethyl- 4-oxobutanoic acid.;4-(((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-((R)-2-((3-chlorobenzyl)(2-(dimethylamino)ethyl)amino)-1-hydroxyethyl)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-9-yl)oxy)-2,2-dimethyl-4-oxobutanoic acid;4-(((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-((R)-2-((3-chlorobenzyl)(2-(dimethylamino)ethyl)amino)-1-hydroxyethyl)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-9-yl)oxy)-2,2-dimethyl-4-oxobutanoic acid.;4-[[(3Ar,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[(1R)-2-[(3-chlorophenyl)methyl-[2-(dimethylamino)ethyl]amino]-1-hydroxyethyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid;4-{[(1R,2R,5R,10S,13R,14R,17S,19R)-5-[(1R)-2-{[(3-chlorophenyl)methyl][2-(dimethylamino)ethyl]amino}-1-hydroxyethyl]-1,2,14,18,18-pentamethyl-7-oxo-8-(propan-2-yl)pentacyclo[11.8.0.0?,??.0?,?.0??,??]henicos-8-en-17-yl]oxy}-2,2-dimethyl-4-oxobutanoic acid;4-{[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[(1R)-2-{[(3-chlorophenyl)methyl][2-(dimethylamino)ethyl]amino}-1-hydroxyethyl]-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3H,4H,5H,6H,7H,7aH,9H,10H,11H,11bH,12H,13H,13aH-cyclopenta[a]chrysen-9-yl]oxy}-2,2-dimethyl-4-oxobutanoic acid;
IUPAC Name	4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[(1R)-2-[(3-chlorophenyl)methyl-[2-(dimethylamino)ethyl]amino]-1-hydroxyethyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid
Molecular Weight	809.56
Molecular Formula	C48H73ClN2O6
Canonical SMILES	CC(C)([C@](CC[C@@]([C@](CC[C@@]1([C@@H](O)CN(CC2=CC=CC(Cl)=C2)CCN(C)C)C3)4C)5C)6[H])[C@@H](OC(CC(C)(C(O)=O)C)=O)CC[C@]6(C)[C@@]5([H])CC[C@]4([H])C1=C(C(C)C)C3=O
InChI	InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(24-23-50(10)11)28-31-13-12-14-32(49)25-31)22-21-46(8)33(41(40)48)15-16-36-45(7)19-18-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)17-20-47(36,46)9/h12-14,25,30,33,35-38,53H,15-24,26-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1
InChIKey	DSNMRZSQABDJDK-PZFKGGKESA-N
Boiling Point	817.1±65.0 °C at 760 mmHg
Purity	98%
Density	1.17±0.1 g/cm3
Solubility	Soluble in DMSO, not in water
Appearance	Solid powder
Shelf Life	2 years if stored properly
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.