Epristeride - ≥99% , CAS No.119169-78-7

CAS: 119169-78-7 Cat. No.: E646215 Peso molecular: 399.57 PubChem CID: 68741

GRADE & PURITY ≥99%

Synonyms

Ono-9302 | 17-beta-N-t-Butylcarboxamide-androst-3,5-diene-3-carboxylic acid | SK&F 105657 | SKF 105657 | BDBM50043604 | Tox21_112993 | VAPSMQAHNAZRKC-PQWRYPMOSA-N | 39517A04PS | EPRISTERIDE [MI] | EPRISTERIDE [WHO-DD] | D01134 | Epristeride [USAN:INN:BAN]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Epristeride (ONO-9302) is a selective, specific and orally active uncompetitive inhibitor of human steroid 5 alpha-reductase isoform 2 . Epristeride has inhibitory effects for SR isoenzymes types 2 with K i value of 0.7-2 nM. Epristeride can be used for the research of prostatic hyperplasia and acne

In Vitro

Epristeride has inhibitory effects for SR isoenzymes types 2 (SR2) with K i values of 0.7-2 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Ki: 0.7-2 nM(SR2)

Specifications

Sinónimos

Ono-9302 | 17-beta-N-t-Butylcarboxamide-androst-3, 5-diene-3-carboxylic acid | SK&F 105657 | SKF 105657 | BDBM50043604 | Tox21_112993 | VAPSMQAHNAZRKC-PQWRYPMOSA-N | 39517A04PS | EPRISTERIDE [MI] | EPRISTERIDE [WHO-DD] | D01134 | Epristeride [USAN:INN:BAN]

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Epristeride (ONO-9302) is a selective, specific and orally active uncompetitive inhibitor of human steroid 5 alpha-reductase isoform 2 . Epristeride has inhibitory effects for SR isoenzymes types 2 with K i value of 0.7-2 nM. Epristeride can be used for t

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C4C3(CCC(=C4)C(=O)O)C
• IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
• InChIKey: VAPSMQAHNAZRKC-PQWRYPMOSA-N
• INCHI: 1S/C25H37NO3/c1-23(2,3)26-21(27)20-9-8-18-17-7-6-16-14-15(22(28)29)10-12-24(16,4)19(17)11-13-25(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1
• Isómeros SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(CCC(=C4)C(=O)O)C
• CAS alternativo: 119169-78-7
• PubChem CID: 68741
• Términos de entrada MeSH: 17-N-t-butylcarboxamide androst-3,5-diene-3-carboxylic acid;epristeride;ONO 9302;ONO-9302;SK and F 105657;SK and F-105657;SKF 105657
• Peso molecular: 399.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Steroid acids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Steroid acids
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-carboxy steroids
• Alternative Parents: Androstane steroids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: 3-carboxy steroid - Androstane-skeleton - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-carboxy steroids. These are steroid compounds that carry a carboxyl group at the C3-atom of the steroid backbone.
• 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

Objetivos asociados (humanos)

SRD5A1 Tclin 3-oxo-5-alpha-steroid 4-dehydrogenase 1 (2 Activities)

Discover Target: SRD5A1

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

SRD5A2 Tclin 3-oxo-5-alpha-steroid 4-dehydrogenase 2 (10 Activities)

Discover Target: SRD5A2

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

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (250.27 mM; Need ultrasonic)
• Peso molecular: 399.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 399.277 Da
• Monoisotopic Mass: 399.277 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 788.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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