Basic information
- CAS
252916-76-0- Standard SMILES
O=[N+]([O-])c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1- InChIKey
GUMBZKISKUIHJB-UHFFFAOYSA-N- Molecular formula
- C20H16Cl2N8O2
- Average molar mass
- 471.3 g/mol
Names & identifiers
- Preferred name
- Chir-98023
- IUPAC
- N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
- English name
- CHIR-98023
- Molecular formula
- C20H16Cl2N8O2
- Molecular weight
- 471.3
Names & synonyms
CHIR-98023252916-76-0CHIR-837UNII-CMQ1L0E91YCMQ1L0E91Y1,2-Ethanediamine, N-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl)-N'-(5-nitro-2-pyridinyl)-CT-980231,2-Ethanediamine, N1-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl)-N2-(5-nitro-2-pyridinyl)-RefChem:125217CHEMBL461262N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamineN1-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl)-N2-(5-nitropyridin-2-yl)ethane-1,2-diamine
Show more names
1,2-Ethanediamine, N1-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl]-N2-(5-nitro-2-pyridinyl)-
GUMBZKISKUIHJB-UHFFFAOYSA-N[4-(2,4-dichlorophenyl)-5-imidazol -2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol -2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl})amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl](2-[(5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl})amino]ethyl}amineorb1697833SCHEMBL4391839
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 615
Physicochemical properties
- Boiling point
- 790.6 · 790.6±70.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- pka
- 10.98 · 10.98±0.10(Predicted)
- FDA UNII
- 1 L0E91Y · CMQ1L0E91Y
Chemistry & industry
Applications
UsesCHIR-98023 is a potent, selective and reversible inhibitor of GSK3, with IC50s of 10 nM and 6.7 nM for GSK3α and GSK3β, respectively. CHIR-98023 can improve insulin action and glucose metabolism[1][2].
Suppliers4 total
北京百奥创新科技有限公司15522676233 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
137 records
Compound notes
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