Description

N-(3-((2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acrylamide (CAS No. 1374507-25-1) is a high-purity synthetic organic compound with the molecular formula C₁₄H₁₀ClF₃N₄O. This specialized chemical features a pyrimidine core substituted with chloro and trifluoromethyl groups, coupled with an acrylamide-functionalized phenylamino moiety. Its precise structure, N-[3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide, makes it a valuable intermediate for pharmaceutical research, particularly in kinase inhibitor development and targeted covalent drug design. Offered as a crystalline solid with ≥95% purity (HPLC), this compound is rigorously characterized by ¹H/¹³C NMR, LC-MS, and elemental analysis. Packaged under inert gas in amber glass vials to ensure stability, it is ideal for medicinal chemistry applications requiring reactive acrylamide warheads for irreversible protein binding.

Properties

• CAS Number: 1374507-25-1
• Complexity: 435
• IUPAC Name: N-[3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• InChI: InChI=1S/C14H10ClF3N4O/c1-2-11(23)20-8-4-3-5-9(6-8)21-12-10(14(16,17)18)7-19-13(15)22-12/h2-7H,1H2,(H,20,23)(H,19,21,22)
• InChI Key: AXMHVOLJINONIM-UHFFFAOYSA-N
• Exact Mass: 342.0495231
• Molecular Formula: C14H10ClF3N4O
• Molecular Weight: 342.70
• SMILES: C=CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC=C2C(F)(F)F)Cl
• Topological: 66.9
• Monoisotopic Mass: 342.0495231
• Synonyms: 1374507-25-1, N-(3-((2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acrylamide, N-(3-{[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)prop-2-enamide, N-[3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide, 2-Propenamide, N-[3-[[2-chloro-5-(trifluoromethyl)-4-pyrimidinyl]amino]phenyl]-, SCHEMBL9924738, AXMHVOLJINONIM-UHFFFAOYSA-N, DTXSID001140100, AKOS027338888, N-(3-(2-chloro-5-(trifluoromethyl)pyrimidin-4-ylamino)phenyl)acrylamide, SB18061, AS-36443, DA-45545, CS-0048858, N-[3-[[2-Chloro-5-(trifluoromethyl)-4-pyrimidinyl]amino]phenyl]-2-propenamide

Application

This compound serves as a key building block in medicinal chemistry for developing covalent kinase inhibitors, particularly targeting cysteine residues. The reactive acrylamide group enables irreversible binding to target proteins, while the chloro-trifluoromethyl pyrimidine moiety contributes to both binding affinity and metabolic stability. Researchers utilize it in PROTAC (PROteolysis-Targeting Chimera) development and fragment-based drug discovery. Its application extends to biochemical tool development for studying enzyme inhibition kinetics and selectivity profiling.

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