4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid , 95% , 641569-94-0

CAS NO.：641569-94-0

Empirical Formula: C17H14N4O2

Molecular Weight: 306.32

MDL number: MFCD11521324

EINECS: 629-968-8

PRODUCT Properties

• Melting point: >257oC (dec.)
• Boiling point: 587.9±60.0 °C(Predicted)
• Density: 1.336
• storage temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• solubility: DMSO (Slightly), Methanol (Slightly, Heated)
• pka: 4.35±0.10(Predicted)
• form: Solid
• color: Pale Beige
• Stability: Hygroscopic
• InChI: InChI=1S/C17H14N4O2/c1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13/h2-10H,1H3,(H,22,23)(H,19,20,21)
• InChIKey: LDLZPHLSVKGFSC-UHFFFAOYSA-N
• SMILES: C(O)(=O)C1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1
• CAS DataBase Reference: 641569-94-0(CAS DataBase Reference)

Description and Uses

4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid is used in the preparation of (pyridinyl)-N-[(triazolyl)phenyl]pyrimidinamine derivatives and (pyridinyl)-N-[oxadiazolyl)phenyl]pyrimidinamine derivatives, and can be used in the detection of their activity as antileukemia agents (neoplastic stem cell leukemia). 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid is also a Nilotinib (N465300) intermediate, which might be useful in treatment of chronic myelogenous leukemia.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319-H335
• Precautionary statements: P261-P271-P280
• HS Code: 2933599590