Basic information
- Name:
Nilotinib
- CAS No.:
641571-10-0
- Molecular Structure:

- Formula:
- C28H22F3N7O
- Molecular Weight:
- 529.52
- Synonyms:
- 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;AMN-107;AMN107;Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-;AMN 107;Nilotinib(TINIBS );Nilotinib & its intermediates;Nilotinib hydrochloride monohydrate;
- Density:
- 1.362 g/cm3
- Appearance:
- off-white solid
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Chemistry
IUPAC Name: 4-Methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
Following is the structure of Nilotinib (CAS NO.641571-10-0):

Empirical Formula: C28H22F3N7O
Molecular Weight: 529.5158
Index of Refraction: 1.649
Molar Refractivity: 141.75 cm3
Molar Volume: 388.6 cm3
Density: 1.36 g/cm3
Polarizability: 56.19 10-24cm3
Surface Tension: 47.4 dyne/cm
Appearance of Nilotinib (CAS NO.641571-10-0): Off-White Solid
Product Categories: API; Molecular Targeted Antineoplastic; Nucleotides and Nucleosides; Bases & Related Reagents; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals; Pharmaceutical intermediate
Canonical SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)
C5=CN=CC=C5
InChI: InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N
Nilotinib is a selective Bcr/Abl tyrosine kinase inhibitor with the form of the hydrochloride monohydrate salt. Nilotinib is an analog of Imatinib with similar multiple kinase targets, but without inhibition of the Src gene.
History
Chemists created nilotinib with the idea of improving the target specificity of an earlier kinase inhibitor, imatinib. Novartis, the manufacturer, says Nilotinib caused a hematologic response in 74% of cases in clinical trials for use on Ph+ CML leukemia. It appears that these drugs seem to improve the action of cancer treatment in certain conditions, but actually have detrimental effects in other conditions. In October 2007, the FDA approved Nilotinib for CML. In June 2008 Italian doctors presented evidence of the efficacy and tolerability of nilotinib in CLL. The complete cytogenic response among patients in their tests was 84%.
Uses
Nilotinib (CAS NO.641571-10-0) is used in treatment of leukemia (specifically chronic myeloid leukemia). In that study 92% of patients (already resistant or unresponsive to Gleevec) achieved a normal white blood cell counts after five months of treatment. The drug carries a black box warning for possible heart complications.
Safety Profile
Nilotinib may cause QTc prolongation , such as an irregular heart rhythm that can LEAD to fainting, loss of consciousness, seizures, or sudden death.
Specification
Nilotinib , its cas register number 641571-10-0. It also can be called AMN 107 ; AMN107 ; Nilotinib ; 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide ; Tasigna ; and UNII-F41401512X . Its classification code are Antineoplastic and Antineoplastic Agents .

