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CDS023093

Nilotinib

Synonym(s):

4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide, 4-Methyl-N-[3-(4-methylimidazol-1-yl)-5-trifluoromethylphenyl]-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzamide

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About This Item

Empirical Formula (Hill Notation):
C28H22F3N7O
CAS Number:
641571-10-0
Molecular Weight:
529.52
UNSPSC Code:
12352200
PubChem Substance ID:
329796354
MDL number:
MFCD09833716
NACRES:
NA.21
Form:
solid
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description

AldrichCPR

form

solid

storage temp.

-10 to -25°C

SMILES string

CC1=CN(C2=CC(NC(C3=CC=C(C(NC4=NC=CC(C5=CC=CN=C5)=N4)=C3)C)=O)=CC(C(F)(F)F)=C2)C=N1

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)

InChI key

HHZIURLSWUIHRB-UHFFFAOYSA-N

Gene Information

human ... ABL1(25)

General description

Nilotinib is an aminopyrimidine-derivative that can be used as a selective inhibitor of tyrosine kinase receptors. It also has a role as an antineoplastic agent and an anticoronaviral agent.

Other Notes

Please note that Sigma-Aldrich provides this product to early discovery researchers as part of a collection of unique chemicals. Sigma-Aldrich does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final.

NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN SIGMA-ALDRICH′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN SIGMA-ALDRICH AND BUYER, SIGMA-ALDRICH SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY, (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE, OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY, WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE.

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pictograms

Health hazard
GHS08

signalword

Danger

hcodes

H372,H413

Hazard Classifications

Aquatic Chronic 4 - STOT RE 1

target_organs

Liver,Kidney,gallbladder

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

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A Hochhaus et al.
Leukemia, 31(7), 1525-1531 (2017-02-22)
The single-arm, phase 2 ENESTfreedom trial assessed the potential for treatment-free remission (TFR; i.e., the ability to maintain a molecular response after stopping therapy) following frontline nilotinib treatment. Patients with Philadelphia chromosome-positive chronic myeloid leukemia in chronic phase with MR
Hans Gelderblom et al.
The Lancet. Oncology, 19(5), 639-648 (2018-03-25)
Pigmented villonodular synovitis (alternatively known as diffuse-type giant cell tumour) is a rare, locally aggressive tumour driven by a specific translocation resulting in the overexpression of colony-stimulating factor 1 (CSF1). CSF1 receptor (CSF1R) inhibitors (ie, tyrosine kinase inhibitors and antibodies)
Main Chemotypes of SARS-CoV-2 Reproduction Inhibitors
Shiryaev VA and Klimochkin Yu N
Russian Journal of Organic chemistry, 57(5), 730-767 (2021)
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