10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 528768458 |
|---|---|
| Sourires canoniques | CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)NC(=O)C5CC5)C(F)(F)F |
| IUPAC Name | N-[6-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide |
| InChIKey | KIKOYRNAERIVSJ-UHFFFAOYSA-N |
| INCHI | 1S/C28H30F3N7O3/c1-37-10-12-38(13-11-37)16-19-4-5-21(14-23(19)28(29,30)31)35-27(40)34-20-6-8-22(9-7-20)41-25-15-24(32-17-33-25)36-26(39)18-2-3-18/h4-9,14-15,17-18H,2-3,10-13,16H2,1H3,(H2,34,35,40)(H,32,33,36,39) |
| Isomères SMILES | CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)NC(=O)C5CC5)C(F)(F)F |
| WGK Allemagne | 3 |
| PubChem CID | 72551586 |
| Poids moléculaire | 569.58 |
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 | Organic oxygen compounds |
| Classe | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Trifluoromethylbenzenes N-phenylureas Benzylamines N-arylamides Phenol ethers Phenylmethylamines Phenoxy compounds Aralkylamines N-methylpiperazines Imidolactams Cyclopropanecarboxylic acids and derivatives Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diaryl ether - Trifluoromethylbenzene - N-phenylurea - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - N-arylamide - Aralkylamine - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - 1,4-diazinane - Piperazine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Alkyl halide - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Poids moléculaire | 569.600 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 569.236 Da |
| Monoisotopic Mass | 569.236 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 876.000 |
| 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. Ying Hu, Lixin Chen, Yulin Wu, Jun Zhang, Zhixia Sheng, Ziyi Zhou, Yufeng Xie, Guiyou Tian, Jiaxing Wan, Xiaorun Zhang, Na Cai, Yatong Zhou, Yi Cao, Tengjiang Yang, Xiaomei Chen, Dalong Liao, Yurui Ge, Bo Cheng, Keyuan Zhong, Erli Tian, Jin Lu, Huiqiang Lu, Yan Zhao, Wei Yuan. (2024) Palmatine reverse aristolochic acid-induced heart failure through activating EGFR pathway via upregulating IKBKB. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, [PMID:39332194] [10.1016/j.ecoenv.2024.117100] |
