8-Mercapto-N-(2-(thiazol-2-yl)ethyl)quinoline-3-carboxamide
Basic information
- CAS
2084867-65-0- Standard SMILES
O=C(NCCc1nccs1)c1cnc2c(S)cccc2c1- InChIKey
MYNGHZGMRXNEEH-UHFFFAOYSA-N- Molecular formula
- C15H13N3OS2
- Average molar mass
- 315.4 g/mol
Names & identifiers
- Preferred name
- 8-Mercapto-N-(2-(thiazol-2-yl)ethyl)quinoline-3-carboxamide
- IUPAC
- 8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide
- English name
- Rpn11-IN-1
- Molecular formula
- C15H13N3OS2
- Molecular weight
- 315.41
Names & synonyms
2084867-65-0Rpn11-IN-1Capzimin - Bio-X8-Mercapto-N-(2-(thiazol-2-yl)ethyl)quinoline-3-carboxamide8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide8-Mercapto-N-(2-(thiazol-2-yl)ethyl)quinoline-3carboxamideorb1706688CHEMBL6010295SCHEMBL18539642SCHEMBL29563919BDBM224012EX-A7658
Show more names
CapziminCapzimin intermediateRpn11IN1,Rpn-11-IN-1,Rpn11 IN 1Capzimin (Rpn11 inhibitor 3027)3-Quinolinecarboxamide, 8-mercapto-N-[2-(2-thiazolyl)ethyl]-
MFCD30747887NSC787834AKOS040742579NSC-787834BC166029DA-57536HY-101286CS-0021087
Database identifiers
- CAS
2084867-65-0- ChEMBL
CHEMBL6010295- Nikkaji
- J3.638.813G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 604 · 604.0±45.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 1.69 · 1.69±0.30(Predicted)
Chemistry & industry
Applications
DescriptionCapzimin is a novel potent and specific inhibitor of proteasome isopeptidase Rpn11.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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