4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl]phenol hydrochloride

• ChemBase ID: 177699
• Molecular Formular: C20H15ClFN3O
• Molecular Mass: 367.8040032
• Monoisotopic Mass: 367.08876802
• SMILES: c1(c([nH]c(n1)c1ccc(cc1)O)c1ccc(cc1)F)c1ccncc1.Cl
• Canonical SMILES: Oc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)F)c1ccncc1.Cl
• InChI: InChI=1S/C20H14FN3O.ClH/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15;/h1-12,25H,(H,23,24);1H
• InChIKey: XOQSUTIMRLPFPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl]phenol hydrochloride
• IUPAC Traditional name: 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-3H-imidazol-2-yl]phenol hydrochloride
• Synonyms: 4-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol Monohydrochloride; SB 202190 Hydrochloride

Database IDs

• CAS Number: 350228-36-3
• PubChem SID: 164233609
• PubChem CID: 6419751

CALCULATED PROPERTIES

• Acid pKa: 9.648372
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.9796717
• LogD (pH = 7.4): 4.0971174
• Log P: 4.1013126
• Molar Refractivity: 103.9327 cm^3
• Polarizability: 38.71251 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - S154500

The water soluble form of SB 202190, a highly selective, potent inhibitor of p38 MAP kinase. SB-202190 is able to promote proliferation of C6 cells in lower concentration but induced apoptosis in higher levels. Studies show that SB202190 can protect neura

REFERENCES

• Horstmann, S. et al.: J. Neurosci. Res., 52, 483 (1998)
• Zhang, F. et al.: Zhong. Yao. Tong., 18, 512 (1998)
• Wang, J. et al.: Nanj. Yike Dax. Xue., 29, 840 (1998)