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

QUALITÉ & PURETÉ Moligand™

Synonyms

RU362|RU-362|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|11,17-dihydroxy-6-methyl-17-(1-propynyl)androsta-1,4,6-triene-3-one|(11.BETA.,17.BETA.)-11,17-DIHYDROXY-6-METHYL-17-(1-PROPYNYL)ANDROSTA-1,4,6-TRIEN-3-ONE|ANDROSTA-1,4,6-TRIEN-3-ONE, 11,17-DIHYDROXY-6-METHYL-17-(1-PROPYNYL)-, (11.BETA.,17.BETA.)-|RU28362|RU-28362|Androsta-1,4,6-trien-3-one, 11,17-dihydroxy-6-methyl-17-(1-propynyl)-, (11beta,17beta)-|RU 362

Storage

Room temperature

Spécifications

Synonymes

RU362 | RU-362 | 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 | 11,17-dihydroxy-6-methyl-17-(1-propynyl)androsta-1,4,6-triene-3-one | (11.BETA.,17.BETA.)-11,17-DIHYDROXY-6-METHYL-17-(1-PROPYNYL)ANDROSTA-1,4,6-TRIEN-3-ONE | ANDROSTA-1,4, Afficher plus

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of Glucocorticoid receptor

Noms et identifiants

Sourires canoniques

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

Isomères 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
    • Classe Steroids and steroid derivatives
      • Subclass Androstane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• 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.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

NR3C1 Tclin Glucocorticoid receptor (0 Activities)

Discover Target: NR3C1

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

Propriétés chimiques et physiques

• Poids moléculaire: 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