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Product details

名称

GSK2838232

英文名称

GSK2838232

货号

G413003-25mg

包装规格

25mg

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

Information GSK2838232, a betulin derivative, is an inhibitor of human immune virus (HIV) maturation which is potential for the treatment of chronic HIV infection.

生化机理

GSK2838232 是一种白桦脂衍生物，是人类免疫病毒（HIV）成熟的抑制剂，有望用于治疗慢性 HIV 感染。

CAS号

1443461-21-9

分子式

C48H73ClN2O6

分子量

809.56 g/mol

PubChem编号

89634981

Isomeric SMILES

CC(C)C1=C2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1=O)[C@H](CN(CCN(C)C)CC6=CC(=CC=C6)Cl)O)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C

IIUPAC 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

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

InChi Key

DSNMRZSQABDJDK-PZFKGGKESA-N

Smiles

CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)C(CN(CCN(C)C)CC6=CC(=CC=C6)Cl)O)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C

PubChem CID

89634981

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

808.516 Da

单同位素质量Monoisotopic Mass

808.516 Da

拓扑极表面积Topological Polar Surface Area

107.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

1570

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

7.2

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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