1-[5-Hydroxymethyl-4-((3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undec-1-yloxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione

ID: ALA2374227

Chembl Id: CHEMBL2374227

PubChem CID: 497587

Max Phase: Preclinical

Molecular Formula: C19H31N3O8Si

Molecular Weight: 457.56

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cc1cn([C@H]2C[C@H](O[Si]34O[C@H](C)CN(C[C@@H](C)O3)C[C@@H](C)O4)[C@@H](CO)O2)c(=O)[nH]c1=O

Standard InChI:  InChI=1S/C19H31N3O8Si/c1-11-6-22(19(25)20-18(11)24)17-5-15(16(10-23)26-17)30-31-27-12(2)7-21(8-13(3)28-31)9-14(4)29-31/h6,12-17,23H,5,7-10H2,1-4H3,(H,20,24,25)/t12-,13-,14-,15+,16-,17-/m1/s1

Standard InChI Key:  MZGVHEKFKGRQNU-NWHWRWDZSA-N

Alternative Forms

1. Parent:

   

   ALA2374227

   1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[[(3R,7R,10R)-3,7,10-trimethyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-5-yl]oxy]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

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: 457.56

Molecular Weight (Monoisotopic): 457.1880

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References

1. Black CA, Ucci JW, Vorpagel JS, Mauck MC, Fenlon EE..  (2002)  Stereoselective and improved syntheses and anticancer testing of 3'-O-silatranylthymidines.,  12  (24): [PMID:12443767] [10.1016/s0960-894x(02)00820-x]

Source

Source(1):

• Scientific Literature