Basic information
- CAS
89622-90-2- Standard SMILES
CC(C)c1cc2ccccn2c1C(=O)c1ccc(OCCCNC(C)(C)C)cc1- InChIKey
ZVRBFQSPBKYIAR-UHFFFAOYSA-N- Molecular formula
- C25H32N2O2
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.24637827
Overview
Brinazarone is a small molecule drug. Brinazarone has a monoisotopic molecular weight of 392.25 Da.
Names & identifiers
- Preferred name
- SR 33287
- IUPAC
- [4-[3-(tert-butylamino)propoxy]phenyl]-(2-propan-2-ylindolizin-3-yl)methanone
- English name
- Brinazarone
- Molecular formula
- C25H32N2O2
- Molecular weight
- 392.53
Names & synonyms
SR 33287SR-33287Methanone, (4-(3-((1,1-dimethylethyl)amino)propoxy)phenyl)(2-(1-methylethyl)-3-indolizinyl)-RefChem:121429BrinazaroneBrinazarona89622-90-2Brinazarone [INN]UC0DRK4OE0Brinazaronump-(3-(tert-Butylamino)propoxy)phenyl 2-isopropyl-3-indolizinyl ketoneUNII-UC0DRK4OE0
Show more names
Methanone, [4-[3-[(1,1-dimethylethyl)amino]propoxy]phenyl][2-(1-methylethyl)-3-indolizinyl]-
Brinazaronum [INN-Latin]Brinazarona [INN-Spanish]orb2564447SCHEMBL1230741sr33287CHEMBL2106113DTXSID20237795[4-[3-(tert-butylamino)propoxy]phenyl]-(2-propan-2-ylindolizin-3-yl)methanone
Database identifiers
- CAS
89622-90-2- PubChem CID
- 65674
- DTXSID
DTXSID20237795- ChEMBL
CHEMBL2106113- UNII
- UC0DRK4OE0
- Nikkaji
- J464.387I
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 10.47 · 10.47±0.10(Predicted)
- FDA UNII
- 0 DRK4OE0 · UC0DRK4OE0
Chemistry & industry
Applications
UsesBrinazarone (SR 33287) is an inhibitor for acid lysosomal sphingomyelinase, and leads to cellular lipidosis. Brinazarone potentiates the cytotoxic effects of anti-Thy 1.2 AT15E RTA-IT on T2 cells and anti-CD5 T101 on CEM cells[1].
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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