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Nilotinib

CAT: 0013-GTR19161143-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161143-04Size:100 mg
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Description
A potent, selective, orally available inhibitor of both native and mutant Bcr-Abl with IC50 of 20-80 nM; inhibits proliferation of Ba/F3 cells expressing G250E, E255K (V), F317L, M351T, F486S, M244V, L248R, Q252H, Y253H, E255K, E279K, E282D, V289S, and L348M Bcr-Abl mutants at <1 uM; also inhibits activated forms of PDGFR and c-Kit with IC50 of 30-200 nM; prolongs survival of mice with leukemia due to imatinib-resistant mutants of Bcr-Abl.Blood Cancer Approved (In Vitro) :Nilotinib (AMN107), selective Abl inhibitor, is designed to interact with the ATP-binding site of BCR-ABL with a higher affinity than imatinib while being significantly more potent compared with imatinib (IC50<30 nM), also maintains activity against most of the BCR-ABL point mutants that confer Imatinib resistance.Nilotinib demonstrates significant antitumor efficacy against GIST xenograft lines and imatinib-resistant GIST cell lines which parent cell lines GK1C and GK3C shows imatinib sensitivity with IC50 of 4.59±0.97 μM and 11.15±1.48 μM, respectively, imatinib-resistant cell lines GK1C-IR and GK3C-IR shows Imatinib resistance with IC50 values of 11.74±0.17 μM (P<0.001) and 41.37±1.07 μM (P<0.001), respectively. (In Vivo) :Nilotinib (oral gavage, 40 mg/kg, daily, 4 weeks) shows equivalent or higher antitumor effects in BALB/cSLc-nu/nu mice with GIST xenograft.Nilotinib has a significant healing effect on the macroscopic and microscopic pathologic scores and ensures considerable mucosal healing in the indomethacin-induced enterocolitis rat model while decreases the PDGFR α and β levels and apoptotic scores in the colon.
CAS Number
641571-10-0
Product Name Alternative
AMN-107 | Tasigna | AMN107
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: 28 mg/mL
Smiles
CC1=CN (C=N1) C1=CC (NC (=O) C2=CC (NC3=NC=CC (=N3) C3=CN=CC=C3) =C (C) C=C2) =CC (=C1) C (F) (F) F
Molecular Formula
C28H22F3N7O
Molecular Weight
529.5158
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzamide, 4-methyl-N-[3- (4-methyl-1H-imidazol-1-yl) -5- (trifluoromethyl) phenyl]-3-[[4- (3-pyridinyl) -2-pyrimidinyl]amino]-

Chemical Information

Nilotinib

Nilotinib is a secondary carboxamide, a member of imidazoles, a member of pyridines, a member of pyrimidines, a secondary amino compound and a member of (trifluoromethyl)benzenes. It has a role as an anticoronaviral agent, an antineoplastic agent and a tyrosine kinase inhibitor.

CAS Number641571-10-0
PubChem CID644241
IUPAC Name4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
Molecular FormulaC28H22F3N7O
Molecular Weight529.5
XLogP4.9
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity817
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)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
Chemical Structure
2D Structure
2D structure of Nilotinib
CAS: 641571-10-0
CID: 644241
Formula: C28H22F3N7O
MW: 529.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass529.18379284
Monoisotopic Mass529.18379284
Topological Polar Surface Area97.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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