3-Oxo-4-aza-5a-androstan-17b-carboxylic Acid

CAS: 103335-55-3

Ref. TR-O869500

Produktinformation

• Name: 3-Oxo-4-aza-5a-androstan-17b-carboxylic Acid
• Synonyme: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-Hexadecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic acid,1H-Indeno[5,4-f]quinoline-7-carboxylic acid, hexadecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-, 4-Azaandrostane-17-carboxylic acid, 3-oxo-, (5α,17β)-, (5α,17β)-3-Oxo-4-aza-5α-androstane-17-carboxylic acid, (5α,17β)-3-Oxo-4-azaandrostane-17-carboxylic acid, 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, hexadecahydro-4a,6a-dimethyl-2-oxo-, [4aR-(4aα,4bβ,6aα,7α,9aβ,9bα,11aβ)]-, 3-Oxo-4-aza-5α-androstane-17-carboxylic acid, 3-Oxo-4-aza-5α-androstane-17β-carboxylic acid, 4-Aza-3-oxo-5α-androstane-17β-carboxylic acid
• Marke: TRC

Beschreibung

Applications 3-Oxo-4-aza-5α-androstan-17β-carboxylic Acid is an impurity in the synthetic process of Dutasteride (D735000), a dual inhibitor of 5α-reductase isoenzymes type 1 and 2; structurally related to Finasteride (F342000). Dutasteride is used in the treatment of benign prostatic hyperplasia.
References Zhang, K. et al.: J. Chin. Pharm. Sci., 16, 233 (2007); Bakshi, R.K., et al.: J. Med. Chem., 38, 3189 (1995), Gisleskog, P.O., et al.: Brit. J. Clin. Pharmacol., 47, 53 (1999), Djavan, B., et al.: Expert Opin. Pharmacother., 6, 311 (2005),

Chemische Eigenschaften

• Molekulargewicht: 319.44
• Formel: C₁₉H₂₉NO₃
• Farbe/Form: Neat
• InChl: InChI=1S/C19H29NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h11-15H,3-10H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,15+,18-,19+/m0/s1
• InChI Key: InChIKey=MJXIPHMGYJXKLJ-HUIMPEKJSA-N
• SMILES: C[C@]12CC[C@H]3[C@@H](CCC4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O