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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Dasatinib hydrochloride (BMS-354825) is the hydrochloride salt form of dasatinib, an inhibitor that targetsAbl, Src and c-Kit, with IC50 of <1 nM, 0.8 nM and 79 nM in cell-free assays, respectively.
Targets
Abl (Cell-free assay); Src (Cell-free assay); c-Kit (D816V) (Cell-free assay); c-Kit (wt) (Cell-free assay) 0.6 nM; 0.8 nM; 37 nM; 79 nM
| ALogP | 3.821 |
|---|---|
| hba_count | 4 |
| HBD Count | 3 |
| Rotatable Bond | 7 |
| Canonical Smiles | CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO.Cl |
|---|---|
| IUPAC Name | N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydrochloride |
| InChIKey | MSCGWICDJYLQOJ-UHFFFAOYSA-N |
| INCHI | 1S/C22H26ClN7O2S.ClH/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);1H |
| Isomeric SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO.Cl |
| Molecular Weight | 524.47 |
| Reaxy-Rn | 9978134 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9978134&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 | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | N-arylpiperazines Dialkylarylamines 2-heteroaryl carboxamides Thiazolecarboxamides Aminopyrimidines and derivatives Chlorobenzenes Toluenes N-alkylpiperazines 2,5-disubstituted thiazoles Imidolactams Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Primary alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - N-arylpiperazine - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - 2,5-disubstituted 1,3-thiazole - Aminopyrimidine - Toluene - Halobenzene - N-alkylpiperazine - Chlorobenzene - Imidolactam - Aryl chloride - Piperazine - 1,4-diazinane - Aryl halide - Pyrimidine - 1,3-thiazol-2-amine - Thiazole - Azole - Heteroaromatic compound - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Alkanolamine - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Hydrochloride - Alcohol - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Primary alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| DMSO(mg / mL) Max Solubility | 100 |
|---|---|
| DMSO(mM) Max Solubility | 190.668675043377 |
| Water(mg / mL) Max Solubility | 11 |
| Water(mM) Max Solubility | 20.9735542547715 |
| Molecular Weight | 524.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 523.132 Da |
| Monoisotopic Mass | 523.132 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 642.000 |
| 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 | 2 |
