(20R)-3beta-tert-Butyldimethylsilyloxy-5alpha-pregnan-20-(pyridin-2-yl)-20-ol

ID: ALA1819423

Chembl Id: CHEMBL1819423

PubChem CID: 54768572

Max Phase: Preclinical

Molecular Formula: C32H53NO2Si

Molecular Weight: 511.87

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)c2ccccn2)C1

Standard InChI:  InChI=1S/C32H53NO2Si/c1-29(2,3)36(7,8)35-23-16-18-30(4)22(21-23)12-13-24-25-14-15-27(31(25,5)19-17-26(24)30)32(6,34)28-11-9-10-20-33-28/h9-11,20,22-27,34H,12-19,21H2,1-8H3/t22-,23-,24-,25-,26-,27-,30-,31-,32+/m0/s1

Standard InChI Key:  USWHBYHBYFGYTM-QVFWITEQSA-N

Alternative Forms

1. Parent:

   

   ALA1819423

   (1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-pyridin-2-ylethanol

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 511.87

Molecular Weight (Monoisotopic): 511.3846

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References

1. Shingate BB, Hazra BG, Salunke DB, Pore VS, Shirazi F, Deshpande MV..  (2011)  Stereoselective synthesis and antimicrobial activity of steroidal C-20 tertiary alcohols with thiazole/pyridine side chain.,  46  (9): [PMID:21664730] [10.1016/j.ejmech.2011.05.032]

Source

Source(1):

• Scientific Literature