Basic information
- CAS
155144-64-2- Standard SMILES
Cc1cc(-c2cc3c(cc2F)n2c(=O)n(O)c(=O)cc2n3C2CC2)cc(C)n1- InChIKey
SSMFYBHQLFTJSA-UHFFFAOYSA-N- Molecular formula
- C20H17FN4O3
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.12846858
Overview
inhibits DNA relaxation catalyzed by topoisomerase II and enhances DNA cleavage by the same enzyme; structure in first source
Names & identifiers
- Preferred name
- Ro 47-3359
- IUPAC
- 5-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-2-hydroxypyrimido[1,6-a]benzimidazole-1,3-dione
- English name
- Ro 47-3359
- Molecular formula
- C20H17FN4O3
- Molecular weight
- 380.377
Names & synonyms
Ro 47-3359155144-64-2Ro-47-3359DTXSID60165821RefChem:179685DTXCID70883125-Cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-2-hydroxypyrimido(1,6-a)benzimidazole-1,3(2H,5H)-dione5-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-8-fluoro-2-hydroxypyrimido[1,6-a]benzimidazole-1,3-dionePyrimido(1,6-a)benzimidazole-1,3(2H,5H)-dione, 5-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-2-hydroxy-CCRIS 8211Pyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione, 5-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-2-hydroxy-5-Cyclopropyl-7-(2,6-dimethyl-4-pyridiyl)-8-fluoro-2-hydroxypyrimido(1,6-a)benzimidazole-1,3(2H,5H)-dione
Show more names
orb1699477AKOS027326746Pyrimido(1,6-a)benzimidazole-1,3(2H,5H)-dione, 5-cyclopropyl-7-(2,6-dimethyl-4-pyridiyl)-8-fluoro-2-hydroxy-CS-0077089T285905-Cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-8-fluoro-2-hydroxypyrimido[1,6-a][1,3]benzimidazole-1,3(2H,5H)-dione
Database identifiers
- CAS
155144-64-2- PubChem CID
- 127906
- DTXSID
DTXSID60165821- Nikkaji
- J564.310D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 716
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.
Applications
DescriptionRo 47-3359 is a novel class of topoisomerase II-targeted drugs with cytotoxic potential.
UsesRo 47-3359 is a pyrimido[1,6-a]benzimidazole compound with the activity of enhancing eukaryotic topoisomerase II-mediated DNA cleavage and being toxic to Kc cells.
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…