(20R)-3beta-tert-Butyldimethylsilyloxy-pregna-5-en-20-(pyridin-2-yl)-20-ol

ID: ALA1819420

Chembl Id: CHEMBL1819420

PubChem CID: 54768535

Max Phase: Preclinical

Molecular Formula: C32H51NO2Si

Molecular Weight: 509.85

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)c5ccccn5)[C@@]4(C)CC[C@@H]32)C1

Standard InChI:  InChI=1S/C32H51NO2Si/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/h9-12,20,23-27,34H,13-19,21H2,1-8H3/t23-,24-,25-,26-,27-,30-,31-,32+/m0/s1

Standard InChI Key:  LSGIMFHTWQNDHA-OPVGGYBHSA-N

Alternative Forms

1. Parent:

   

   ALA1819420

   (1R)-1-[(3S,8S,9S,10R,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-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: 509.85

Molecular Weight (Monoisotopic): 509.3689

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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