Home Halogens (S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid

(S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid

CAS No.:
232271-19-1
Catalog Number:
AG002MKL
Molecular Formula:
C24H21Cl2NO5
Molecular Weight:
474.3332
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
1 week
United States
$473
- +
10mg
95%
1 week
United States
$690
- +
50mg
95%
1 week
United States
$1557
- +
100mg
95%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG002MKL
Chemical Name:
(S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid
CAS Number:
232271-19-1
Molecular Formula:
C24H21Cl2NO5
Molecular Weight:
474.3332
MDL Number:
MFCD09970400
IUPAC Name:
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
InChI:
InChI=1S/C24H21Cl2NO5/c1-31-19-7-4-8-20(32-2)21(19)15-11-9-14(10-12-15)13-18(24(29)30)27-23(28)22-16(25)5-3-6-17(22)26/h3-12,18H,13H2,1-2H3,(H,27,28)(H,29,30)/t18-/m0/s1
InChI Key:
DRSJLVGDSNWQBI-SFHVURJKSA-N
SMILES:
COc1cccc(c1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(Cl)cccc1Cl)OC
Properties
Complexity:
606  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
473.08g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
474.334g/mol
Monoisotopic Mass:
473.08g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
Characterization of hepatobiliary transport systems of a novel alpha4beta1/alpha4beta7 dual antagonist, TR-14035. Pharmaceutical research 20061101
A small molecule, orally active, alpha4beta1/alpha4beta7 dual antagonist reduces leukocyte infiltration and airway hyper-responsiveness in an experimental model of allergic asthma in Brown Norway rats. British journal of pharmacology 20060301
Role of human liver cytochrome P450 2C9 in the metabolism of a novel alpha4beta1/alpha4beta7 dual antagonist, TR-14035. Drug metabolism and pharmacokinetics 20050401
Pharmacokinetics and metabolism of TR-14035, a novel antagonist of a4ss1/a4ss7 integrin mediated cell adhesion, in rat and dog. Xenobiotica; the fate of foreign compounds in biological systems 20050401
2,3-Diphenylpropionic acids as potent VLA-4 antagonists. Bioorganic & medicinal chemistry letters 20050103
Development of cell adhesion molecule antagonists as therapeutics for asthma and COPD. Pulmonary pharmacology & therapeutics 20040101
A small molecule alpha4beta1/alpha4beta7 antagonist differentiates between the low-affinity states of alpha4beta1 and alpha4beta7: characterization of divalent cation dependence. The Journal of pharmacology and experimental therapeutics 20030901
Alpha(4)beta(7)/alpha(4)beta(1) dual integrin antagonists block alpha(4)beta(7)-dependent adhesion under shear flow. The Journal of pharmacology and experimental therapeutics 20020701
Synthesis and SAR of N-benzoyl-L-biphenylalanine derivatives: discovery of TR-14035, a dual alpha(4)beta(7)/alpha(4)beta(1) integrin antagonist. Bioorganic & medicinal chemistry 20020601
The discovery of sulfonylated dipeptides as potent VLA-4 antagonists. Bioorganic & medicinal chemistry letters 20011022
Properties