Basic information
- CAS
1005412-29-2- Standard SMILES
O=c1[nH]nc2c3c(cccc13)Oc1ccc(CN3CCC(O)CC3)cc1-2- InChIKey
HAVFFEMDLROBGI-UHFFFAOYSA-N- Molecular formula
- C20H19N3O3
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.14264148
Overview
PARP Inhibitor E7016 is an inhibitor of the nuclear enzyme poly(ADP-ribose) polymerase (PARP) with potential chemo- and/or radiosensitizing activity. PARP inhibitor E7016 selectively binds to PARP and prevents PARP mediated DNA repair of single strand DNA breaks via the base-excision repair pathway. This enhances the accumulation of DNA strand breaks and promotes genomic instability and eventually leads to apoptosis. In addition, this agent may enhance the cytotoxicity of DNA-damaging agents and reverse tumor cell resistance to chemotherapy and radiation therapy. PARP catalyzes post-translational ADP-ribosylation of nuclear proteins that signal and recruit other proteins to repair damaged DNA and is activated by single-strand DNA breaks.
Names & identifiers
- Preferred name
- E-7016
- IUPAC
- 4-[(4-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
Names & synonyms
E7016902128-92-1E-7016GPI-21016M8926C7ILXE7016 cpdBenzopyrano(4,3,2-de)phthalazin-3(2H)-one, 10-((4-hydroxy-1-piperidinyl)methyl)-E 7016RefChem:920784PARP Inhibitor E701610-((4-Hydroxypiperidin-1-yl)methyl)chromeno[4,3,2-de]phthalazin-3(2H)-oneUNII-M8926C7ILX
Show more names
4-[(4-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one10-((4-hydroxypiperidin-1-yl)methyl)chromeno(4,3,2-de)phthalazin-3(2H)-oneorb1688849SCHEMBL1319757CHEMBL3527000SCHEMBL29379416BDBM97563E 7016 [WHO-DD]
Database identifiers
- CAS
1005412-29-2、902128-92-1- PubChem CID
- 11660296
- ChEMBL
CHEMBL3527000- UNII
- M8926C7ILX
- Nikkaji
- J3.479.514B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 587
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemicals and drugs that inhibit the action of POLY(ADP-RIBOSE)POLYMERASES.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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