Pregnane-3,20-dione, (5b)

Modify Date: 2025-08-25 14:15:54

Pregnane-3,20-dione, (5b) Structure
Pregnane-3,20-dione, (5b) structure
Common Name Pregnane-3,20-dione, (5b)
CAS Number 128-23-4 Molecular Weight 316.47800
Density 1.048g/cm3 Boiling Point 429.2ºC at 760mmHg
Molecular Formula C21H32O2 Melting Point N/A
MSDS N/A Flash Point 160.3ºC

 Names

Name 5β-pregnane-3,20-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.048g/cm3
Boiling Point 429.2ºC at 760mmHg
Molecular Formula C21H32O2
Molecular Weight 316.47800
Flash Point 160.3ºC
Exact Mass 316.24000
PSA 34.14000
LogP 4.80340
Vapour Pressure 1.43E-07mmHg at 25°C
Index of Refraction 1.515
InChIKey XMRPGKVKISIQBV-XWOJZHJZSA-N
SMILES CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
Storage condition -20°C

 Synthetic Route

 Pregnane-3,20-dione, (5b)Bioassay

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Name: Human Pregnane X receptor (1I. Vitamin D receptor-like receptors)
Source: IUPHAR-DB
Target: Pregnane X receptor (1I. Vitamin D receptor-like receptors) [Homo sapiens]
External Id: 606_Human
Name: Increase in human nuclear co-repressor receptor binding to human CAR-LBD expressed in...
Source: ChEMBL
Target: Nuclear receptor subfamily 1 group I member 3
External Id: CHEMBL948402
Name: Activation of human CAR-LBD expressed in human C3A cells at 10 uM after 24 hrs by GAL...
Source: ChEMBL
Target: Nuclear receptor subfamily 1 group I member 3
External Id: CHEMBL941272
Name: TP_TRANSPORTER: Northern blot from LS174T cell
Source: ChEMBL
Target: ATP-dependent translocase ABCB1
External Id: CHEMBL2076254
Name: Increase in human steroid receptor coactivator 1 binding to human CAR-LBD expressed i...
Source: ChEMBL
Target: Nuclear receptor subfamily 1 group I member 3
External Id: CHEMBL948401
Name: Inhibition of p-gp (unknown origin) in doxorubicin-resistant human K562/R7 cells asse...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3420915
Name: Relative binding affinity to human progesterone receptor
Source: ChEMBL
Target: Progesterone receptor
External Id: CHEMBL3281642
Name: Inhibition of mouse constitutive androstane receptor (mCAR) activity at 10 uM was det...
Source: ChEMBL
Target: Nuclear receptor subfamily 1 group I member 3
External Id: CHEMBL666775
Name: Relative binding affinity to rabbit progesterone receptor
Source: ChEMBL
Target: Progesterone receptor
External Id: CHEMBL3281644
Name: Relative binding affinity to sheep progesterone receptor
Source: ChEMBL
Target: Progesterone receptor
External Id: CHEMBL3281643
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 Synonyms

5beta-Pregnan-3,20-dione
(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
3,20-Pregnanedione
5beta-Dihydroprogesterone
5beta-pregnane-3,20-dione
CI2
5b-pregnane-3,20-dione
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