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
CNX-2006 is a novel irreversible mutant-selectiveEGFRinhibitor withIC50of < 20 nM, with very weak inhibition at wild-type EGFR.
Targets
mutant EGFR <20 nM
In vitro
CNX-2006 is a novel irreversible EGFR tyrosine kinase inhibitor, specifically inhibits activating mutations of EGFR as well as the T790M mutation while having very weak inhibition at wild-type EGFR. In in vitro modeling of acquired resistance, continuous CNX-2006 treatment on drug-sensitive EGFR mutant cells leads to resistance more slowly than erlotinib. Dose escalation with CNX-2006 leads to differential effects in different lines, but does not select for T790M-mediated resistance. CNX-2006 resistent cells shows increased expression of EMT markers and MMP9.
In vivo
CNX-2006 is effective in H1975 (EGFR L858R/T790M) xenograft model.
Cell Research(from reference)
Cell lines：HEK293
Concentrations：~1000 nM
Incubation Time：6 h
| ALogP | 5.15 |
|---|---|
| hba_count | 4 |
| HBD 수 | 4 |
| 회전 가능한 결합 | 12 |
| Pubchem Sid | 528763789 |
|---|---|
| 정식 스마일 | COC1=C(C=CC(=C1)NC2CN(C2)CCF)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F |
| IUPAC Name | N-[3-[[2-[4-[[1-(2-fluoroethyl)azetidin-3-yl]amino]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide |
| InChIKey | BFSRTTWIPACGMI-UHFFFAOYSA-N |
| INCHI | 1S/C26H27F4N7O2/c1-3-23(38)33-16-5-4-6-17(11-16)34-24-20(26(28,29)30)13-31-25(36-24)35-21-8-7-18(12-22(21)39-2)32-19-14-37(15-19)10-9-27/h3-8,11-13,19,32H,1,9-10,14-15H2,2H3,(H,33,38)(H2,31,34,35,36) |
| 이성체 SMILES | COC1=C(C=CC(=C1)NC2CN(C2)CCF)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F |
| 분자량 | 545.53 |
| Reaxy-Rn | 22532471 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22532471&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 |
| 분류 | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anilides |
| Alternative Parents | Aminophenyl ethers Methoxyanilines Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Phenylalkylamines Aminopyrimidines and derivatives Alkyl aryl ethers Secondary alkylarylamines Imidolactams Heteroaromatic compounds Acrylic acids and derivatives Secondary carboxylic acid amides Amino acids and derivatives Azetidines Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminophenyl ether - Methoxyaniline - Anilide - Phenoxy compound - N-arylamide - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Phenylalkylamine - Alkyl aryl ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Imidolactam - Pyrimidine - Heteroaromatic compound - Acrylic acid or derivatives - Amino acid or derivatives - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Alkyl halide - Carbonyl group - Alkyl fluoride - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| 설명 | 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 |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO(mg/mL) 최대 용해도 | 100 |
|---|---|
| DMSO(mM) 최대 용해도 | 183.3079757 |
| 물(mg/mL) 최대 용해도 | ＜1 |
| 분자량 | 545.500 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 11 |
| Exact Mass | 545.216 Da |
| Monoisotopic Mass | 545.216 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 801.000 |
| 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 |
