≥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.
CE-245677 is a potent reversible inhibitor of Tie2 and TrkA/B kinases with a cellular IC 50 s of 4.7 and 1 nM.
In Vitro
CE-245677 is a potent reversible inhibitor of Tie2 and TrkA/B kinases with a cellular IC 50 of 4.7 and 1 nM, and displays >100x selectivity against a number of other angiogenic receptor tyrosine kinases, such as KDR, PDGFR, FGFR. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
CE-245677 shows good oral absorption in in vivo rat PK studies (F=80%) . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:TrkA Tie2 4.7 nM (IC 50 )
| Canonical Smiles | CC(C)N1C=C(C2=C(N=CN=C21)N)C(=O)C3=CC(=C(C=C3)OC)NC(=O)NC4=C(C=C(C=C4)Cl)Cl |
|---|---|
| IUPAC Name | 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)urea |
| InChIKey | VFCRSIORGUNNGT-UHFFFAOYSA-N |
| INCHI | 1S/C24H22Cl2N6O3/c1-12(2)32-10-15(20-22(27)28-11-29-23(20)32)21(33)13-4-7-19(35-3)18(8-13)31-24(34)30-17-6-5-14(25)9-16(17)26/h4-12H,1-3H3,(H2,27,28,29)(H2,30,31,34) |
| Isomeric SMILES | CC(C)N1C=C(C2=C(N=CN=C21)N)C(=O)C3=CC(=C(C=C3)OC)NC(=O)NC4=C(C=C(C=C4)Cl)Cl |
| Alternate CAS | 717899-97-3 |
| PubChem CID | 16048643 |
| Molecular Weight | 513.4 |
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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | N-phenylureas Methoxyanilines Pyrrolo[2,3-d]pyrimidines Anisoles Benzoyl derivatives Dichlorobenzenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aminopyrimidines and derivatives Aryl chlorides Imidolactams Substituted pyrroles Vinylogous amides Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl-phenylketone - N-phenylurea - Pyrrolo[2,3-d]pyrimidine - Methoxyaniline - Pyrrolopyrimidine - Anisole - Phenoxy compound - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Substituted pyrrole - Pyrimidine - Imidolactam - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Pyrrole - Heteroaromatic compound - Urea - Organoheterocyclic compound - Azacycle - Ether - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Solubility | DMSO : 125 mg/mL (243.48 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 513.400 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 512.113 Da |
| Monoisotopic Mass | 512.113 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 761.000 |
| 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 |
