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232271-19-1,MFCD09970400
Catalog No.:AA002MHT

232271-19-1 | (S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid

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1mg
98%
in stock  
$16.00   $11.00
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2mg
98%
in stock  
$24.00   $17.00
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10mg
98%
in stock  
$57.00   $40.00
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50mg
98%
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$160.00   $112.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA002MHT
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
SMILES:
COc1cccc(c1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(Cl)cccc1Cl)OC
Properties
Computed Properties
 
Complexity:
606  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
8  
XLogP3:
5.6  

Literature

Title: Characterization of hepatobiliary transport systems of a novel alpha4beta1/alpha4beta7 dual antagonist, TR-14035.

Journal: Pharmaceutical research 20061101

Title: 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.

Journal: British journal of pharmacology 20060301

Title: Role of human liver cytochrome P450 2C9 in the metabolism of a novel alpha4beta1/alpha4beta7 dual antagonist, TR-14035.

Journal: Drug metabolism and pharmacokinetics 20050401

Title: Pharmacokinetics and metabolism of TR-14035, a novel antagonist of a4ss1/a4ss7 integrin mediated cell adhesion, in rat and dog.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20050401

Title: 2,3-Diphenylpropionic acids as potent VLA-4 antagonists.

Journal: Bioorganic & medicinal chemistry letters 20050103

Title: Development of cell adhesion molecule antagonists as therapeutics for asthma and COPD.

Journal: Pulmonary pharmacology & therapeutics 20040101

Title: A small molecule alpha4beta1/alpha4beta7 antagonist differentiates between the low-affinity states of alpha4beta1 and alpha4beta7: characterization of divalent cation dependence.

Journal: The Journal of pharmacology and experimental therapeutics 20030901

Title: Alpha(4)beta(7)/alpha(4)beta(1) dual integrin antagonists block alpha(4)beta(7)-dependent adhesion under shear flow.

Journal: The Journal of pharmacology and experimental therapeutics 20020701

Title: 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.

Journal: Bioorganic & medicinal chemistry 20020601

Title: The discovery of sulfonylated dipeptides as potent VLA-4 antagonists.

Journal: Bioorganic & medicinal chemistry letters 20011022

Title: Sircar I, et al. 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. Bioorg Med Chem. 2002 Jun;10(6):2051-66.

Title: Egger LA, et al. Alpha(4)beta(7)/alpha(4)beta(1) dual integrin antagonists block alpha(4)beta(7)-dependent adhesion under shear flow. J Pharmacol Exp Ther. 2002 Jul;302(1):153-62.

Title: Julio Cortijo, et al. A small molecule, orally active, α4β1/α4β7 dual antagonist reduces leukocyte infiltration and airway hyper-responsiveness in an experimental model of allergic asthma in Brown Norway rats. Br J Pharmacol. 2006 Mar; 147(6): 661–670.

Title: M Tsuda-Tsukimoto, et al. Pharmacokinetics and metabolism of TR-14035, a novel antagonist of a4ss1/a4ss7 integrin mediated cell adhesion, in rat and dog. Xenobiotica

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Tags:232271-19-1 Molecular Formula|232271-19-1 MDL|232271-19-1 SMILES|232271-19-1 (S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid