5β-Dihydro Progesterone - Moligand™, ≥98% , Agonist of Constitutive androstane receptor;Agonist of Pregnane X receptor, CAS No.128-23-4, Agonist of Constitutive androstane receptor;Agonist of Pregnane X receptor

CAS: 128-23-4 Cat. No.: D336733 Formule: C₂₁H₃₂O₂ Poids moléculaire: 316.48

GRADE & PURITY Moligand™, ≥98%

Synonyms

5.beta.-Pregnane-3,20-dione | Pregnane-3, (5.beta.)- | Q21099648 | 105J2Q45A0 | U-2411 | DB07557 | J1.722.247C | 5beta-Dihydroprogesterone | 5 | 5.beta.-Pregnan-3,20-dione | 5-beta-pregnan-3,20 dione | 5beta-pregnan-3,20 dione | 5beta-Pregnan-3,20-dione |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

5β-Dihydro Progesterone is a metabolite of the neuroactive steroid Progesterone.

Specifications

Synonymes

5.beta.-Pregnane-3,20-dione | Pregnane-3, (5.beta.)- | Q21099648 | 105J2Q45A0 | U-2411 | DB07557 | J1.722.247C | 5beta-Dihydroprogesterone | 5 | 5.beta.-Pregnan-3,20-dione | 5-beta-pregnan-3,20 dione | 5beta-pregnan-3,20 dione | 5beta-Pregnan-3,20-dione |

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of Constitutive androstane receptor;Agonist of Pregnane X receptor

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504756131
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756131
• Sourires canoniques: CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
• IUPAC Name: (5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
• InChIKey: XMRPGKVKISIQBV-XWOJZHJZSA-N
• INCHI: 1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
• Isomères SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C
• Poids moléculaire: 316.48
• Reaxy-Rn: 2058496
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2058496&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: 20-oxosteroids 3-oxo-5-beta-steroids Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxo-5-beta-steroid - Oxosteroid - 3-oxosteroid - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
• External Descriptors: C21 steroids (gluco/mineralocorticoids, progestogins) 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

Cibles associées (humaines)

NR1I2 Tchem Nuclear receptor subfamily 1 group I member 2 (1 Activities)

Discover Target: NR1I2

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

NR1I3 Tchem Nuclear receptor subfamily 1 group I member 3 (1 Activities)

Discover Target: NR1I3

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

PGR Tclin Progesterone receptor (8562 Activities)

Discover Target: PGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nr1i3 Constitutive androstane receptor (427 Activities)

Discover Target: Nr1i3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Point de fusion (°C): 114-117° C
• Poids moléculaire: 316.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 316.24 Da
• Monoisotopic Mass: 316.24 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 538.000
• 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