4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
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- Product name: 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
- CAS: 641569-94-0
- MF: C17H14N4O2
- MW: 306.32
- EINECS:629-968-8
- MDL Number:MFCD11521324
- Synonyms:4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid;4-Methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid;Benzoic acid, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyriMidinyl]aMino]-;4-Methyl-3-[[4-(3-pyridinyl)-2-pyriMidiny]aMino]benzoic acid;2-[(5-Carboxy-2-methylphenyl)amino]-4-(pyridin-3-yl)pyrimidine, 3-{2-[(5-Carboxy-2-methylphenyl)amino]pyrimidin-4-yl}pyridine;Nilotinib Intemediate 2;4-Methyl-3-((4-(pyridin-3-yl);Nilotinib EP Impurity D
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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)
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)
Safety Information
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Description
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.More related product prices
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