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 Fórmula: C₂₁H₃₂O₂ Peso molecular: 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

Visão geral

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

Specifications

Sinónimos

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 |

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

AGONIST

Mecanismo de ação

Agonist of Constitutive androstane receptor;Agonist of Pregnane X receptor

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504756131

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756131

Sorrisos canónicos

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

SMILES isoméricas

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

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Ponto de fusão (°C): 114-117° C
• Peso molecular: 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