≥98% 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.
Information
CC-90003 CC-90003 is an irreversible inhibitor of ERK1/2 with IC50s in the 10-20 nM range and shows good kinase selectivity in a 258-kinase biochemical assay.
Targets
ERK1 ; ERK2
In vitro
In biochemical, cellular, and mass spectrometry assays of 347 kinases, CC-90003 was found to strongly inhibit kinase activities of ERK1 and ERK2 with IC50s in the 10 to 20 nmol/L range and had good kinase selectivity. In a 258-kinase biochemical assay panel, significant inhibition of 213 kinases (<50% inhibition), moderate inhibition of 28 kinases (50%–80% inhibition), and >80% inhibition of 17 kinases by CC-90003 were found. In an ActivX cellular kinase screening using A375 BRAF V600E-mutant melanoma cell line, only 5 of 194 kinases (ERK1, ERK2, MKK4, MKK6, and FAK) were inhibited by >80% at 1 mmol/L of CC-90003. At the same concentration, no significant inhibition (<14%) was found in a Cerep panel of 40 nonkinase enzymes and receptors. Through our iterative analyses, only 3 kinases, in addition to ERK1/2, were inhibited in cells at biologically relevant concentrations: KDR, FLT3, and PDGFRa. Tumors with BRAF mutations were particularly sensitive to CC-90003. In many, but not all cases, CC-90003 had cytotoxic effects in KRAS-mutant PDAC, lung cancer, and colorectal cancer cell lines. CC-90003 does not significantly inhibit proliferation of normal lung fibroblasts or bronchial epithelial cells.
In vivo
In in vivo studies of an HCT-116 xenograft model, CC-90003 was well tolerated at a range of doses (12.5 mg b.i.d.-100 mg qd), although doses of 50 mpk b.i.d. and 75 mpk b.i.d. group caused mortality by days 6 to 18 of study. Both dosing schedules (qd and b.i.d.) leads to tumor growth inhibition. CC-90003 inhibits tumor growth in vivo of three KRAS-mutant PDX models.
Cell Research(from reference)
Cell lines：KRAS-mutant cell lines
Incubation Time：72 h
| ALogP | 5.316 |
|---|---|
| hba_count | 5 |
| HBD数 | 3 |
| 回転可能な結合 | 8 |
| パブケム・シド | 504772575 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/504772575 |
| カノニカル・スマイル | CC1=CC(=C(C=C1)NC2=NC(=NC=C2C(F)(F)F)NC3=CC(=NC=C3C)OC)NC(=O)C=C |
| IUPAC Name | N-[2-[[2-[(2-methoxy-5-methylpyridin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylphenyl]prop-2-enamide |
| InChIKey | ILUKRINUNLAVMH-UHFFFAOYSA-N |
| INCHI | 1S/C22H21F3N6O2/c1-5-18(32)28-17-8-12(2)6-7-15(17)29-20-14(22(23,24)25)11-27-21(31-20)30-16-9-19(33-4)26-10-13(16)3/h5-11H,1H2,2-4H3,(H,28,32)(H2,26,27,29,30,31) |
| 異性体SMILES | CC1=CC(=C(C=C1)NC2=NC(=NC=C2C(F)(F)F)NC3=CC(=NC=C3C)OC)NC(=O)C=C |
| 分子量 | 458.44 |
| Reaxy-Rn | 27064513 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27064513&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 分類 | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anilides |
| Alternative Parents | Diaminotoluenes Aniline and substituted anilines N-arylamides Alkyl aryl ethers Aminopyridines and derivatives Aminopyrimidines and derivatives Methylpyridines Imidolactams Heteroaromatic compounds Acrylic acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organofluorides Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Amines Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diaminotoluene - Anilide - N-arylamide - Aniline or substituted anilines - Alkyl aryl ether - Aminopyridine - Aminopyrimidine - Toluene - Methylpyridine - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Acrylic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 I2502007 | Certificate of Analysis | Sep 13, 2025 | C414190 |
| I2503120 | Certificate of Analysis | Sep 13, 2025 | C414190 |
| H2520079 | Certificate of Analysis | Sep 01, 2025 | C414190 |
| G2215138 | Certificate of Analysis | Apr 07, 2025 | C414190 |
| G2215139 | Certificate of Analysis | Apr 07, 2025 | C414190 |
| G2215141 | Certificate of Analysis | Apr 07, 2025 | C414190 |
| L2412308 | Certificate of Analysis | Jun 09, 2022 | C414190 |
| 溶解度 | Solubility (25°C) In vitro DMSO: 92 mg/mL (200.68 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| DMSO（mg / mL） 最大溶解度 | 92 |
| DMSO（mM） 最大溶解度 | 200.680568885787 |
| 水（mg / mL） 最大溶解度 | ＜1 |
| 分子量 | 458.400 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 458.168 Da |
| Monoisotopic Mass | 458.168 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 667.000 |
| 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 |
