Epiandrosterone - ≥99% , CAS No.481-29-8

CAS: 481-29-8 Cat. No.: E129418 분자식: C₁₉H₃₀O₂ 분자량: 290.4 EC 번호: 207-563-3

등급 & 순도 ≥99%

Synonyms

EpiA | 3.beta.-Hydroxy-5.alpha.-androstan-17-one | SR-01000837513 | UNII-8TR252Z538 | A-androsterone;EpiA | AM20061868 | BDBM50236240 | 3-(tert-butyldimethylsilanyloxy)propionaldehyde | BSPBio_000460 | HY-I0352 | 3beta-Hydroxyetioallocholan-17-one | AC-16

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

EpiA | 3.beta.-Hydroxy-5.alpha.-androstan-17-one | SR-01000837513 | UNII-8TR252Z538 | A-androsterone;EpiA | AM20061868 | BDBM50236240 | 3-(tert-butyldimethylsilanyloxy)propionaldehyde | BSPBio_000460 | HY-I0352 | 3beta-Hydroxyetioallocholan-17-one | AC-16

사양 및 순도

≥99%

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

AGONIST

순수함

≥99%

이름과 식별자

Pubchem Sid

504758752

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758752

정식 스마일

CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O

IUPAC Name

(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

InChIKey

QGXBDMJGAMFCBF-LUJOEAJASA-N

INCHI

1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1

이성체 SMILES

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O

분자량

290.4

Reaxy-Rn

2055720

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055720&ln=

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-beta-hydroxysteroids 17-oxosteroids Secondary alcohols Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Androgen-skeleton - 3-hydroxysteroid - 3-beta-hydroxysteroid - Oxosteroid - 17-oxosteroid - Hydroxysteroid - Cyclic alcohol - Secondary alcohol - Ketone - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aliphatic homopolycyclic 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: C19 steroids (androgens) and derivatives

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)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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T47D (39041 Activities)

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Jurkat (10389 Activities)

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LNCaP (8286 Activities)

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MDA-MB-231 (73002 Activities)

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UGT2B17 Tbio UDP-glucuronosyltransferase 2B17 (197 Activities)

Discover Target: UGT2B17

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GPBAR1 Tchem G-protein coupled bile acid receptor 1 (1723 Activities)

Discover Target: GPBAR1

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G6PD Tchem Glucose-6-phosphate 1-dehydrogenase (778 Activities)

Discover Target: G6PD

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HSD17B7 Tchem 3-keto-steroid reductase (330 Activities)

Discover Target: HSD17B7

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SNCA Tchem Alpha-synuclein (10960 Activities)

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UGT2B15 Tbio UDP-glucuronosyltransferase 2B15 (172 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Trypanosoma brucei (78846 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania mexicana (936 Activities)

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Trypanosoma cruzi (99888 Activities)

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H9c2 (3506 Activities)

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Serine/threonine-protein phosphatase (23 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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ATP-dependent molecular chaperone HSP82 (2186 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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작용 메커니즘

화학 및 물리적 특성

• 분자량: 290.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 290.225 Da
• Monoisotopic Mass: 290.225 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 458.000
• 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