Basic information
- CAS
1489285-17-7- Standard SMILES
Cc1ccccc1Sc1ccc(/C=C2\SC(=S)NC2=O)cc1[N+](=O)[O-]- InChIKey
SHKDXDWJERWCHI-DHDCSXOGSA-N- Molecular formula
- C17H12N2O3S3
- Average molar mass
- 388.5 g/mol
Names & identifiers
- Preferred name
- Procaspase-IN-5
- IUPAC
- (5Z)-5-[[4-(2-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- (5Z)-5-[[(4-[(2-Methylphenyl)thio]-3-nitrophenyl]methylene]-2-thioxo-4-thiazolidinone
- Molecular formula
- C17H12N2O3S3
- Molecular weight
- 388.48
Names & synonyms
AM-TS231489285-17-7Procaspase-IN-5(5Z)-5-[[4-[(2-Methylphenyl)thio]-3-nitrophenyl]methylene]-2-thioxo-4-thiazolidinone(5Z)-5-[[4-(2-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-oneorb1702552SCHEMBL29588567BDBM104089GLXC-06901AKOS032946106AKOS040746567NCGC00476185-01
Show more names
AMTS23,AM-TS-23(5Z)-5-[[(4-[(2-Methylphenyl)thio]-3-nitrophenyl]methylene]-2-thioxo-4-thiazolidinone4-Thiazolidinone, 5-[[4-[(2-methylphenyl)thio]-3-nitrophenyl]methylene]-2-thioxo-, (5Z)-
DA-66879MS-32539PD080075HY-110139CS-0032996T25084(Z)-5-(3-Nitro-4-(o-tolylthio)benzylidene)-2-thioxothiazolidin-4-one(Z)-5-(3-Nitro-4-(o-tolylthio)benzylidene)-2-thioxothiazolidin-4-one 23
Database identifiers
- CAS
1489285-17-7
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 590
Physicochemical properties
- 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
Applications
UsesAM-TS23 is a human DNA polymerase beta and lambda inhibitor and sensitizes human colorectal cancer cells to hydrogen peroxide and temozolomide.
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [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
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