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

ID: ALA1819414

Chembl Id: CHEMBL1819414

PubChem CID: 54768499

Max Phase: Preclinical

Molecular Formula: C30H49NO2SSi

Molecular Weight: 515.88

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)c5nccs5)[C@@]4(C)CC[C@@H]32)C1

Standard InChI:  InChI=1S/C30H49NO2SSi/c1-27(2,3)35(7,8)33-21-13-15-28(4)20(19-21)9-10-22-23-11-12-25(29(23,5)16-14-24(22)28)30(6,32)26-31-17-18-34-26/h9,17-18,21-25,32H,10-16,19H2,1-8H3/t21-,22-,23-,24-,25-,28-,29-,30+/m0/s1

Standard InChI Key:  FLLNDKBDPCPDSU-DBHYXKSRSA-N

Alternative Forms

1. Parent:

   

   ALA1819414

   (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-(1,3-thiazol-2-yl)ethanol

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: 515.88

Molecular Weight (Monoisotopic): 515.3253

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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