9-(((4R,6S)-2-benzyl-6-((tert-butyldiphenylsilyloxy)methyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)methyl)-6-chloro-9H-purin-2-amine

ID: ALA3827970

PubChem CID: 6482436

Max Phase: Preclinical

Molecular Formula: C36H38ClN7OSi

Molecular Weight: 648.29

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)(C)[Si](OC[C@H]1C[C@@H](Cn2cnc3c(Cl)nc(N)nc32)c2cn(Cc3ccccc3)nc21)(c1ccccc1)c1ccccc1

Standard InChI:  InChI=1S/C36H38ClN7OSi/c1-36(2,3)46(28-15-9-5-10-16-28,29-17-11-6-12-18-29)45-23-27-19-26(21-43-24-39-32-33(37)40-35(38)41-34(32)43)30-22-44(42-31(27)30)20-25-13-7-4-8-14-25/h4-18,22,24,26-27H,19-21,23H2,1-3H3,(H2,38,40,41)/t26-,27+/m0/s1

Standard InChI Key:  VSGJCPJLOHPTAS-RRPNLBNLSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA3827970

   9-[[(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methyl]-6-chloro-purin-2-amine

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: 648.29

Molecular Weight (Monoisotopic): 647.2596

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Np Likeness Score: ┄

References

1. Wróblewski AE, Głowacka IE, Piotrowska DG..  (2016)  1'-Homonucleosides and their structural analogues: A review.,  118  [PMID:27128178] [10.1016/j.ejmech.2016.04.034]

Source

Source(1):

• Scientific Literature