RU28362 - Moligand™ , Agonist of Glucocorticoid receptor, CAS No.74915-64-3, Agonist of Glucocorticoid receptor

CAS: 74915-64-3 Cat. No.: R613329 PubChem CID: 123790

GRADE & PURITY Moligand™

Synonyms

DTXSID101027141 | RU362 | RU-362 | VH397CN9SV | RU 28362 | (8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-6,10,13-trimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one | AKOS040749370 | Q7277962 | 11,17-dihydroxy-6-methyl-17-(

Storage

Room temperature

Specifications

Sinónimos

DTXSID101027141 | RU362 | RU-362 | VH397CN9SV | RU 28362 | (8S, 9S, 10R, 11S, 13S, 14S, 17S)-11, 17-dihydroxy-6, 10, 13-trimethyl-17-prop-1-ynyl-9, 11, 12, 14, 15, 16-hexahydro-8H-cyclopenta[a]phenanthren-3-one | AKOS040749370 | Q7277962 | 11, 17-dihydroxy-6-methyl-17-(

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of Glucocorticoid receptor

Nombres e identificadores

• Sonrisas canónicas: CC#C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C=C(C2=CC(=O)C=C[C@]12C)C
• IUPAC Name: (8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-6,10,13-trimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
• InChIKey: UFZKDKHLKHEFGA-ZFTCBNFESA-N
• INCHI: 1S/C23H28O3/c1-5-8-23(26)10-7-17-16-11-14(2)18-12-15(24)6-9-21(18,3)20(16)19(25)13-22(17,23)4/h6,9,11-12,16-17,19-20,25-26H,7,10,13H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-/m0/s1
• Isómeros SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)C)O)C)O
• PubChem CID: 123790

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Androstane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Androgens and derivatives
• Alternative Parents: 3-oxo delta-1,4-steroids 17-hydroxysteroids 11-beta-hydroxysteroids Delta-1,4-steroids Ynones Tertiary alcohols Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Androgen-skeleton - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 17-hydroxysteroid - Delta-1,4-steroid - Ynone - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Cyclic ketone - Organooxygen compound - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic homopolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (0 Activities)

Discover Target: NR3C1

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

Propiedades químicas y físicas

• Peso molecular: 352.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 352.204 Da
• Monoisotopic Mass: 352.204 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 834.000
• 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