GSK2838232 , CAS No.1443461-21-9

CAS: 1443461-21-9 Cat. No.: G413003 분자식: C₄₈H₇₃ClN₂O₆ 분자량: 809.56 PubChem CID: 89634981

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

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

Specifications

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

이름과 식별자

• 정식 스마일: 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
• 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
• InChIKey: DSNMRZSQABDJDK-PZFKGGKESA-N
• 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
• 이성체 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
• PubChem CID: 89634981
• 분자량: 809.56

화학 및 물리적 특성

• 분자량: 809.600 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 808.516 Da
• Monoisotopic Mass: 808.516 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1570.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1443461-21-9, the molecular formula is C48H73ClN2O6, and the molecular weight is 809.56 g/mol. InChIKey DSNMRZSQABDJDK-PZFKGGKESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.