1-((2S,4S,5S)-5-(((tert-Butyldimethylsilyl)oxy)methyl)-4-(2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione

ID: ALA4060026

Chembl Id: CHEMBL4060026

PubChem CID: 132576589

Max Phase: Preclinical

Molecular Formula: C28H42N2O6S2Si

Molecular Weight: 594.87

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COc1ccc(C2([C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO[Si](C)(C)C(C)(C)C)SCCCS2)cc1OC

Standard InChI:  InChI=1S/C28H42N2O6S2Si/c1-18-16-30(26(32)29-25(18)31)24-15-20(23(36-24)17-35-39(7,8)27(2,3)4)28(37-12-9-13-38-28)19-10-11-21(33-5)22(14-19)34-6/h10-11,14,16,20,23-24H,9,12-13,15,17H2,1-8H3,(H,29,31,32)/t20-,23+,24-/m0/s1

Standard InChI Key:  XOVCHKAKMMRPCH-ZTCOLXNVSA-N

Alternative Forms

1. Parent:

   

   ALA4060026

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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: 594.87

Molecular Weight (Monoisotopic): 594.2254

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References

1. Matsumoto H, Yamashita M, Tahara T, Hayakawa S, Wada SI, Tomioka K, Iida A..  (2017)  Design, synthesis, and evaluation of DNA topoisomerase II-targeted nucleosides.,  25  (15): [PMID:28619446] [10.1016/j.bmc.2017.06.001]

Source

Source(1):

• Scientific Literature