ChemicalBook--->CAS DataBase List--->944795-06-6

944795-06-6

944795-06-6 Structure

944795-06-6 Structure
IdentificationBack Directory
[Name]

BenzaMide, 3-[[4-[(5-hydroxy-2-Methylphenyl)aMino]-2-pyriMidinyl]aMino]-
[CAS]

944795-06-6
[Synonyms]

Lck inhibitor 2
3-[[4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl]amino]-
3-[[4-(5-hydroxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide
3-[[4-[(5-Hydroxy-2-methylphenyl)amino]-2-pyrimidinyl]amino]benzamide
BenzaMide, 3-[[4-[(5-hydroxy-2-Methylphenyl)aMino]-2-pyriMidinyl]aMino]-
[Molecular Formula]

C18H17N5O2
[MDL Number]

MFCD18206813
[MOL File]

944795-06-6.mol
[Molecular Weight]

335.36
Chemical PropertiesBack Directory
[Boiling point ]

615.3±65.0 °C(Predicted)
[density ]

1.389±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO : 20 mg/mL (59.64 mM; Need ultrasonic)
[form ]

Powder
[pka]

9.92±0.18(Predicted)
[color ]

Light yellow to yellow
Hazard InformationBack Directory
[Uses]

Lck inhibitor 2 is a multi-target tyrosine kinase inhibitor with IC50s of 13nM, 9nM, 3nM, 26nM and 2nM for Lck, Btk, Lyn, Btk and Txk respectively.
[References]

[1] Bamborough, et al. Assessment of Chemical Coverage of Kinome Space and Its Implications for Kinase Drug Discovery. Journal of Medicinal Chemistry (2008), 51(24), 7898-7914. DOI:10.1021/jm8011036
[2] Bamborough, Paul, et al. N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of Lck: Indazoles as phenol isosteres with improved pharmacokinetics. Bioorganic & Medicinal Chemistry Letters (2007), 17(15), 4363-4368. DOI:10.1016/j.bmcl.2007.04.029
[3] Awale, Mahendra, et al. Molecular docking guided 3D-QSAR CoMFA analysis of N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of leukocyte-specific protein tyrosine kinase. Journal of Molecular Modeling (2008), 14(10), 937-947. DOI:10.1007/s00894-008-0334-8
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