Basic information
- CAS
177951-34-7- Standard SMILES
CCc1ccccc1-n1c(=S)[nH]c2ccccc2c1=O- InChIKey
AOAYKMHALLRULW-UHFFFAOYSA-N- Molecular formula
- C16H14N2OS
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.08268425
Names & identifiers
- Preferred name
- 3-(2-ethylphenyl)-2-mercaptoquinazolin-4(3H)-one
- IUPAC
- 3-(2-ethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
- English name
- 3-(2-ETHYLPHENYL)-2-MERCAPTOQUINAZOLIN-4(3H)-ONE
- Molecular formula
- C16H14N2OS
- Molecular weight
- 282.36
Names & synonyms
177951-34-73-(2-ethylphenyl)-2-mercaptoquinazolin-4(3H)-one3-(2-ethylphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-oneAnticancer agent 1733-(2-ethylphenyl)-2-sulfanylidene-1H-quinazolin-4-oneThioxodihydroquinazolinone-19starbld0018711Maybridge1_000315Oprea1_405026Oprea1_749488orb1702729SCHEMBL1129120
Show more names
Thioxodihydroquinazolinone19Thioxodihydroquinazolinone 193-(2-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone4(1H)-Quinazolinone, 3-(2-ethylphenyl)-2,3-dihydro-2-thioxo-
SCHEMBL6284203HMS542G073-(2-Ethylphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-oneSTK439742AKOS001144598AKOS003328352CCG-236509CCG-237249
Database identifiers
- CAS
177951-34-7- PubChem CID
- 2731304
- Nikkaji
- J748.910B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Boiling point
- 437.9 · 437.9±38.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.20(Predicted)
- 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
DescriptionThioxodihydroquinazolinone-19 is an inducer of apoptotic cell death in platinum-resistant A2780cis human ovarian cancer cells. It acts by exhibiting a strong inhibitory effect in ovarian CSC-LCs in combination with cisplatin.
UsesAnticancer agent 173 (compound 19) is a potent thioxodihydroquinazolinone analogs when combined with platinum drugs in inducing apoptotic cancer cells death[1].
Suppliers5 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]
南京宁凡医药科技有限公司17368696818
南京康满林化工实业有限公司025-83697070 13770331960 · [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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