Chemical structure of CAS 728865-23-4

N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide

CAS No.728865-23-4
MDL No.MFCD22665727
MFC24H27N3O5
MW437.50
InChI KeyFQYBTYFKOHPWQT-VGSWGCGISA-N

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Product Information

CHIR-090 is an L-threonine derivative formed by the formal condensation of the carboxy group of 4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzoic acid with the amino group of N-hydroxy-L-threoninamide. It functions as an antimicrobial agent, a lipopolysaccharide biosynthesis inhibitor, and an inhibitor of EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase). It is an acetylenic compound, a morpholine, a benzamide, a L-threonine derivative, and a hydroxamic acid.

CAS No.728865-23-4
Product NameN-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide
Heavy Atom Count32Rotatable Bond Count6
Atom Stereo Count2Bond Stereo Count0
HBA6HBD4
TPSA111.130 ŲCharge0
Exact Mass437.19507Complexity971.43
pKa7.130XLogP0.903