≥96% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
SM1-71 (compound 5) is a potent TAK1 inhibitor, with a K i of 160 nM, it also can covalently inhibit MKNK2 , MAP2K1/2/3/4/6/7 , GAK , AAK1 , BMP2K , MAP3K7 , MAPKAPK5 , GSK3A/B , MAPK1/3 , SRC , YES1 , FGFR1 , ZAK (MLTK) , MAP3K1 , LIMK1 and RSK2 . SM1-71 can inhibit proliferation of multiple cancer cell lines
In Vitro
SM1-71 (0.001-100 μM; 72 h) potently inhibits the proliferation of H23 and Calu-6 non-small cell lung cancer cell lines with a concentration-dependent manner. SM1-71 (72 h) induces potent cytotoxicity with nanomolar values for GR 50 and negative GR max values in eight of 11 cancer cell lines. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: H23-KRAS G12C and Calu-6-KRAS Q61K cells Concentration: 0.001, 0.01, 0.1, 1, 10, 100 μM Incubation Time: 72 hours Result: Inhibited proliferation of H23-KRAS G12C and Calu-6-KRAS Q61K cells with IC 50 s of 0.4 and 0.3 μM, respectively.
Form:Solid
IC50& Target:IC50: 0.8 nM (GAK), 0.8 nM (YES1), 2 nM (SRC), 4.4 nM (AAK1), 5.4 nM (LIMK1), 7.1 nM (BMP2K), 9.3 nM (MAP2K2), 10.4 nM (MAP2K1), 28.7 nM (MAP3K1), 48.3 nM (MAPK1), 107 nM (MAPK3)
| Canonical Smiles | CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NC(=O)C=C)Cl |
|---|---|
| IUPAC Name | N-[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide |
| InChIKey | SCMLGVPMSXTUNC-UHFFFAOYSA-N |
| INCHI | 1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30) |
| Isomeric SMILES | CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NC(=O)C=C)Cl |
| PubChem CID | 131801160 |
| Molecular Weight | 463.96 |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Anilides N-arylamides Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Halopyrimidines Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Acrylic acids and derivatives Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylpiperazine - Phenylpiperazine - Anilide - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Halopyrimidine - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Acrylic acid or derivatives - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
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| Solubility | DMSO : 125 mg/mL (269.42 mM; Need ultrasonic) |
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