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3-Oxo-4-aza-5α-androstan-17β-carboxylic Acid - 99%, high purity , CAS No.103335-55-3
Basic Description
Synonyms
3-Oxo-4-aza-5?-androstane-17?-carboxylic acid | 4-aza-5 | 4-Aza-5alpha-androstan-3-one-17beta-carboxylic acid | 3-Oxo-4-aza-5-alpha-androstane-17-beta-carboxylic acid | 3-Oxo-4-aza-5-alpha-androstane-17beta-carboxylic acid | 3-Oxo-4-aza-5alpha-androstane-
Specifications & Purity
≥99%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Product Application:
A 4-Azasteroid with 5α-Reductase Inhibitory Activity：This product is a 4-azasteroid which has the carbon atom in position 4 in the steroid ring replaced by a nitrogen atom. Reportedly, 4-azasteroids and their derivatives are effective as 5α-reductase inhibitors which are a class of medications with anti-androgenic effects.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Androstane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Androgens and derivatives
Alternative Parents
Hydroxysteroids 3-oxo-5-alpha-steroids 3-oxo-4-azasteroids 4-azasteroids and derivatives Quinolidines Piperidinones Delta lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
20-hydroxysteroid - Androgen-skeleton - 3-oxosteroid - 3-oxo-4-azasteroid - 3-oxo-5-alpha-steroid - Oxosteroid - Hydroxysteroid - 4-azasteroid - Azasteroid - Quinolidine - Delta-lactam - Piperidinone - Piperidine - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488196328
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488196328
IUPAC Name
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxylic acid
INCHI
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
InChIKey
MJXIPHMGYJXKLJ-MLGOENBGSA-N
Smiles
CC12CCC3C(C1CCC2C(=O)O)CCC4C3(CCC(=O)N4)C
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CC[C@@H]4[C@@]3(CCC(=O)N4)C
Molecular Weight
319.45
Reaxy-Rn
42176513
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42176513&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Specific Rotation[α]
[α]D77° (C=1,Pyridine)
Melt Point(°C)
>300° C (dec.)
Molecular Weight
319.400 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
319.215 Da
Monoisotopic Mass
319.215 Da
Topological Polar Surface Area
66.400 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
547.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
7
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
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L2403383