Turosteride , CAS No.137099-09-3

CAS: 137099-09-3 Cat. No.: T667937 분자식: C₂₇H₄₅N₃O₃ 분자량: 459.7 PubChem CID: 65986

Synonyms

Turosteride | Turosteride [INN] | FCE 26073 | LU1LTK666W | UNII-LU1LTK666W | 1,3-Diisopropyl-1-((4-methyl-3-oxo-4-aza-5alpha-androstan-17beta-yl)carbonyl)urea | Turosterid | FCE-26073 | fce26073 | (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-p

Storage

Room temperature

사양

동의어

Turosteride | Turosteride [INN] | FCE 26073 | LU1LTK666W | UNII-LU1LTK666W | 1,3-Diisopropyl-1-((4-methyl-3-oxo-4-aza-5alpha-androstan-17beta-yl)carbonyl)urea | Turosterid | FCE-26073 | fce26073 | (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-p

보관 조건

Room temperature

작업 유형

INHIBITOR

제품 특성

ALogP

5.2

이름과 식별자

정식 스마일

CC(C)NC(=O)N(C(C)C)C(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C

IUPAC Name

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

InChIKey

WMPQMBUXZHMEFZ-YJPJVVPASA-N

INCHI

1S/C27H45N3O3/c1-16(2)28-25(33)30(17(3)4)24(32)21-10-9-19-18-8-11-22-27(6,15-13-23(31)29(22)7)20(18)12-14-26(19,21)5/h16-22H,8-15H2,1-7H3,(H,28,33)/t18-,19-,20-,21+,22+,26-,27+/m0/s1

이성체 SMILES

CC(C)NC(=O)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C

PubChem CID

65986

분자량

459.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Steroids and steroid derivatives
      • Subclass Androstane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Steroids and steroid derivatives
• Subclass: Androstane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Androgens and derivatives
• Alternative Parents: 3-oxo-5-alpha-steroids 3-oxo-4-azasteroids 4-azasteroids and derivatives Quinolidines Piperidinones N-acyl ureas Delta lactams Tertiary carboxylic acid amides Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Androgen-skeleton - 3-oxosteroid - Oxosteroid - 3-oxo-5-alpha-steroid - 3-oxo-4-azasteroid - Azasteroid - 4-azasteroid - Quinolidine - Delta-lactam - Ureide - N-acyl urea - Piperidinone - Piperidine - Dicarboximide - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Urea - Carbonic acid derivative - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
• 설명: 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.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

SRD5A2 Tclin 3-oxo-5-alpha-steroid 4-dehydrogenase 2 (1 Activities)

Discover Target: SRD5A2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

작용 메커니즘

화학 및 물리적 특성

• 분자량: 459.700 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 459.346 Da
• Monoisotopic Mass: 459.346 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 810.000
• 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

자주 묻는 질문

How should this product be stored?

Store at room temperature.

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

The CAS Number is 137099-09-3, the molecular formula is C27H45N3O3, and the molecular weight is 459.7 g/mol. InChIKey WMPQMBUXZHMEFZ-YJPJVVPASA-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.