4-Chloro-6-(2-methyl-1H-imidazol-1-yl)pyrimidine

CAS: 941294-31-1

Ref. TR-C587548

Product Information

• Name: 4-Chloro-6-(2-methyl-1H-imidazol-1-yl)pyrimidine
• Synonyms: [(13R,14S,34R)-34-hydroxy-40-[(2R,3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-(3-sulfooxypropyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate
• Brand: TRC
• Description: Applications 4-Chloro-6-(2-methyl-1H-imidazol-1-yl)pyrimidine is a reagent used in the synthesis of [(aminosulfonylaminoalkyl)piperidinyl]pyrimidines and -quinazolines as PC-1 inhibitors for alleviating hERG interactions through structure based design.References Patel, S. D., et al.: Bioorg. Med. Chem. Lett., 19, 3339 (2009); Patel, S. D., et al.: Bioorg. Med. Chem. Lett., 20, 2685 (2010)

Chemical properties

• Molecular weight: 1157.384
• Formula: C₅₆H₈₄O₂₁S₂
• Color/Form: Neat
• InChI: InChI=1S/C56H84O21S2/c1-10-12-29(2)13-17-52(5,58)51-31(4)21-40-39(72-51)27-47-56(9,75-40)50(57)49-43(71-47)25-42-48(73-49)30(3)14-18-54(7)45(70-42)28-44-55(8,77-54)19-15-32-33(69-44)22-35-34(66-32)23-36-37(67-35)24-41-38(68-36)26-46(76-79(62,63)64)53(6,74-41)16-11-20-65-78(59,60)61/h10,13,17,30,32-51,57-58H,1-2,4,11-12,14-16,18-28H2,3,5-9H3,(H,59,60,61)(H,62,63,64)/b17-13+/t30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46-,47?,48?,49?,50+,51?,52+,53+,54?,55?,56?/m0/s1
• SMILES: C=CCC(=C)/C=C/[C@@](C)(O)C1OC2CC3OC4CC5OC6CC7OC8CC9OC%10CC%11O[C@](C)(CCCOS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CC%11OC%10CC9OC8CCC7(C)OC6(C)CCC(C)C5OC4[C@@H](O)C3(C)OC2CC1=C