Determine the necessary mass, volume, or concentration for preparing a solution.
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SKU | Size | Availability | Price | Qty |
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S614277-5mg | 5mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $1,334.90 | |
S614277-25mg | 25mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $2,001.90 |
Synonyms | 2-[(2-aminoethyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrimidine-5-carboxamide | N16847 | SCHEMBL1222899 | DHY3UC4XFH | BEB69551 | 2-(2-Aminoethylamino)-4-(3-(trifluoromethyl)anilino)pyrimidine-5-carboxamide | 2-[(2-Aminoethyl)amino]-4-[[3-(trifluor |
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Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Inhibitor of spleen associated tyrosine kinase;Inhibitor of zeta chain of T cell receptor associated protein kinase 70 |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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IUPAC Name | 2-(2-aminoethylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide |
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INCHI | InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23) |
InChi Key | FQNFLNSVHWCZML-UHFFFAOYSA-N |
Canonical SMILES | C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)NCCN)C(F)(F)F |
Isomeric SMILES | C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)NCCN)C(F)(F)F |
Alternate CAS | 726695-51-8 |
PubChem CID | 9549296 |
Molecular Weight | 340.300 g/mol |
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XLogP3 | 1.800 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 6 |
Exact Mass | 340.126 Da |
Monoisotopic Mass | 340.126 Da |
Topological Polar Surface Area | 119.000 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 422.000 |
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 |
1. Hisamichi H, Naito R, Toyoshima A, Kawano N, Ichikawa A, Orita A, Orita M, Hamada N, Takeuchi M, Ohta M et al.. (2005) Synthetic studies on novel Syk inhibitors. Part 1: Synthesis and structure-activity relationships of pyrimidine-5-carboxamide derivatives.. Bioorg Med Chem, 13 (16): (4936-51). [PMID:15990316] [10.1021/op500134e] |
2. Farmer LJ, Bemis G, Britt SD, Cochran J, Connors M, Harrington EM, Hoock T, Markland W, Nanthakumar S, Taslimi P et al.. (2008) Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK).. Bioorg Med Chem Lett, 18 (23): (6231-5). [PMID:18938080] [10.1021/op500134e] |