Batracylin
Basic information
- CAS
67199-66-0- Standard SMILES
Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2- InChIKey
SRIOCKJKFXAKHK-UHFFFAOYSA-N- Molecular formula
- C15H11N3O
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.09021198
Overview
Daniquidone has been used in trials studying the treatment of Neoplasms.
Names & identifiers
- Preferred name
- Batracylin
- IUPAC
- 8-amino-10H-isoindolo[1,2-b]quinazolin-12-one
- English name
- Daniquidone
- Molecular formula
- C15H11N3O
- Molecular weight
- 249.27
Names & synonyms
DaniquidoneBatracylin67199-66-08-Aminoisoindolo[1,2-b]quinazolin-12(10H)-oneDaniquidonaNSC-320846DaniquidonumDTXSID30578028-Amino-10H-isoindolo[1,2-b]quinazolin-12-oneNSC320846NSC 320846BAY H-2049
Show more names
BAYH-2049BatracyclinNSC 320846|||BAY-H 2049Isoindolo[1,2-b]quinazolin-12(10H)-one, 8-amino-
8-Aminoisoindolo(1,2-b)quinazolin-12(10H)-oneBAY-H-2049E780TX33D28-aminoisoindolo(1,2-b)quinazolin-12(10H)oneDTXCID10315918-Amino-10H-isoindolo(1,2-b)quinazolin-12-oneRefChem:130866Bay H 2049
Database identifiers
- CAS
67199-66-0- PubChem CID
- 71750
- DTXSID
DTXSID3057802- ChEMBL
CHEMBL114283- UNII
- E780TX33D2
- Nikkaji
- J402.892I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- NCI Dictionary of Cancer Terms
- batracylin
- FDA UNII
- 780 TX33D2 · E780TX33D2
- NCI Drug Dictionary
- daniquidone
- Comptox DTXSID
- 3057802 · DTXSID3057802
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/Metabolites8-aminoisoindolo (1,2-b)quinazolin-12(10H)-one has known human metabolites that include N-(12-Oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)acetamide.
Applications
UsesBatracylin (NSC320846) is a potent DNA Topoisomerases I and DNA Topoisomerases II inhibitor. Batracylin shows cytotoxicity and antiproliferative activity. Batracylin induces DNA breaks[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…