Basic information
- CAS
1262406-02-9- Standard SMILES
CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc2ccccc2s1- InChIKey
VFEFVZLJBVJWCN-UHFFFAOYSA-N- Molecular formula
- C24H22N6S
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.1626659
Names & identifiers
- Preferred name
- 2-Benzothiazolamine, N-propyl-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
- IUPAC
- N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzothiazol-2-amine
- English name
- 2-BenzothiazolaMine, N-propyl-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]Methyl]-
- Molecular formula
- C24H22N6S
- Molecular weight
- 426.53668
Names & synonyms
1262406-02-9JNK-1-IN-12-Benzothiazolamine, N-propyl-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-orb1744425SCHEMBL27056953N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzothiazol-2-amineHY-14411CS-0003346
Database identifiers
- CAS
1262406-02-9- PubChem CID
- 73013739
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 556
Chemistry & industry
Applications
UsesJNK-1-IN-1 is a JNK-1 inhibitor. JNK-1-IN-1 also inhibits MKK7 with an IC50 of 7.8μM. JNK-1-IN-1 bind to MKK7cp and acts as an inhibitor of JNK-1[1].
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [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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