(2R,3S)-isopropyl 2-(benzo[d][1,3]dioxol-5-yl)-3-((4S,5S)-5-((tert-butyldimethylsilyloxy)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate

ID: ALA1090369

PubChem CID: 46884289

Max Phase: Preclinical

Molecular Formula: C25H40O8Si

Molecular Weight: 496.67

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)OC(=O)[C@H](c1ccc2c(c1)OCO2)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C

Standard InChI:  InChI=1S/C25H40O8Si/c1-15(2)31-23(27)20(16-10-11-17-18(12-16)29-14-28-17)21(26)22-19(32-25(6,7)33-22)13-30-34(8,9)24(3,4)5/h10-12,15,19-22,26H,13-14H2,1-9H3/t19-,20+,21-,22+/m0/s1

Standard InChI Key:  OXKDYDTZSOOLPE-LNRXMEIDSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA1090369

   propan-2-yl (2R,3S)-2-(1,3-benzodioxol-5-yl)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropanoate

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: 496.67

Molecular Weight (Monoisotopic): 496.2492

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References

1. McNulty J, Nair JJ, Singh M, Crankshaw DJ, Holloway AC..  (2010)  Potent and selective inhibition of human cytochrome P450 3A4 by seco-pancratistatin structural analogs.,  20  (7): [PMID:20189386] [10.1016/j.bmcl.2010.01.157]

Source

Source(1):

• Scientific Literature