4-(3-Ethylureido)-3-methoxyphenylboronic acid, pinacol ester
Product Information
Molecular Formula
C16H25BN2O4
Molecular Weight
320.19
Description
4-(3-Ethylureido)-3-methoxyphenylboronic acid is a boronic acid derivative, exhibiting potent inhibitory effects against certain enzymes involved in disease progression. This compound holds promising potential in drug discovery and development, particularly for the treatment of specific cancers and inflammatory conditions.
Synonyms
1-Ethyl-3-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea; 4-(3-ETHYLUREIDO)-3-METHOXYPHENYLBORONIC ACID, PINACOL ESTER; 1-ethyl-3-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea; 4-(3-Ethylureido)-3-methoxyphenylboronic acid, pinacol ester; 4-(3-Ethylureido)-3-methoxyphenylboronic acid,pinacol ester; N-Ethyl-N'-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea;
IUPAC Name
1-ethyl-3-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC(=O)NCC)OC
InChI
InChI=1S/C16H25BN2O4/c1-7-18-14(20)19-12-9-8-11(10-13(12)21-6)17-22-15(2,3)16(4,5)23-17/h8-10H,7H2,1-6H3,(H2,18,19,20)
InChI Key
OLBPVFHOZBPMJU-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
320.1907374 g/mol
Monoisotopic Mass
320.1907374 g/mol
Topological Polar Surface Area
68.8Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
414
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
