Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Nilotinib (AMN-107) is a Bcr-Abl inhibitor with IC50 less than 30 nM.
A rationally designed c-Abl and Bcr-Abl kinase inhibitor
| Pubchem Sid | 504759766 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759766 |
| Canonical 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 |
| IUPAC Name | 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide |
| InChIKey | HHZIURLSWUIHRB-UHFFFAOYSA-N |
| 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) |
| Isomeric 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 |
| Molecular Weight | 529.53 |
| Reaxy-Rn | 10737140 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10737140&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Pyridinylpyrimidines Phenylimidazoles Trifluoromethylbenzenes Aminobenzoic acids and derivatives p-Toluamides Benzamides Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Pyridines and derivatives N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Alkyl fluorides Organofluorides Organooxygen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzanilide - Pyridinylpyrimidine - 1-phenylimidazole - Trifluoromethylbenzene - Aminobenzoic acid or derivatives - P-toluamide - Toluamide - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Toluene - N-substituted imidazole - Pyridine - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl fluoride - Amine - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Alkyl halide - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | imidazoles - pyrimidines - secondary amino compound - pyridines - carboxamide - (trifluoromethyl)benzenes |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 15, 2026 | N126111 | |
| Certificate of Analysis | Nov 06, 2025 | N126111 | |
| Certificate of Analysis | Oct 14, 2025 | N126111 | |
| Certificate of Analysis | Aug 11, 2025 | N126111 | |
| Certificate of Analysis | Aug 11, 2025 | N126111 | |
| Certificate of Analysis | Jun 14, 2025 | N126111 | |
| Certificate of Analysis | Mar 04, 2025 | N126111 | |
| Certificate of Analysis | Apr 12, 2024 | N126111 | |
| Certificate of Analysis | Nov 10, 2023 | N126111 |
| Solubility | DMSO ≥10mg/mL Water <1.2mg/mL Ethanol <1.2mg/mL |
|---|---|
| Refractive Index | 1.65 |
| Melt Point(°C) | 230-242℃ |
| Molecular Weight | 529.500 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 529.184 Da |
| Monoisotopic Mass | 529.184 Da |
| Topological Polar Surface Area | 97.600 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 817.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yutao Lou, Mengting Cheng, Qin Cao, Kening Li, Hui Qin, Meihua Bao, Yuan Zhang, Sisi Lin, Yiwen Zhang. (2023) Simultaneous quantification of mirabegron and vibegron in human plasma by HPLC-MS/MS and its application in the clinical determination in patients with tumors associated with overactive bladder. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:38198885] [10.1016/j.jpba.2023.115937] |
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| 4. Yutao Lou, Hui Qin, Qing Hu, Yitao Chai, Hongying Zhou, Mengting Chen, Qiyue Wang, Ping Huang, Jinping Gu, Yiwen Zhang. (2022) Development and validation of a novel LC-MS/MS method for simultaneous quantitative determination of tyrosine kinase inhibitors in human plasma. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, [PMID:35932695] [10.1016/j.jchromb.2022.123394] |
| 5. Wei Jingyao, Liu Ruijuan, Zhang Jiali, Liu Shuaibing, Yan Dan, Wen Xueqian, Tian Xin. (2021) Baicalin Enhanced Oral Bioavailability of Sorafenib in Rats by Inducing Intestine Absorption. Frontiers in Pharmacology, [PMID:34819863] [10.3389/fphar.2021.761763] |
| 6. Zhao-Yang Wang, Hai-Long Wu, Yue-Yue Chang, Tong Wang, Wei Chen, Gao-Yan Tong, Ru-Qin Yu. (2021) Simultaneous determination of nine tyrosine kinase inhibitors in three complex biological matrices by using high-performance liquid chromatography–diode array detection combined with a second-order calibration method. JOURNAL OF SEPARATION SCIENCE, 44 (21): (3914-3923). [PMID:34463059] [10.1002/jssc.202100293] |
| 7. Rubin Cheng, Yilan Huang, Yun Fang, Qirui Wang, Meixiu Yan, Yuqing Ge. (2021) Cryptotanshinone enhances the efficacy of Bcr-Abl tyrosine kinase inhibitors via inhibiting STAT3 and eIF4E signalling pathways in chronic myeloid leukaemia. PHARMACEUTICAL BIOLOGY, [PMID:34214017] [10.1080/13880209.2021.1944224] |
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| 9. Zhenzhen Ying, Jingyao Wei, Ruijuan Liu, Fang Zhao, Yifang Yu, Xin Tian. (2020) An UPLC-MS/MS Method for Determination of Osimertinib in Rat Plasma: Application to Investigating the Effect of Ginsenoside Rg3 on the Pharmacokinetics of Osimertinib. International Journal of Analytical Chemistry, [PMID:33456471] [10.1155/2020/8814214] |
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| 13. Xiaofei Zhang, Mengyuan Lv, Yuyang Wang, Nan Zhang, Di Chen. (2025) Inner-wall biochar-coated pipette tip microextraction for rapid and sustainable determination of tyrosine kinase inhibitors in plasma. RSC Advances, 15 (40): (33536-33548). [PMID:40959299] [10.1039/D5RA05405B] |
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Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →