CAS 232271-19-1|TR 14035

Introduction：Basic information about CAS 232271-19-1|TR 14035, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. TR 14035 BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	TR 14035
CAS Number	232271-19-1	Molecular Weight	474.333
Density	1.3±0.1 g/cm3	Boiling Point	604.0±55.0 °C at 760 mmHg
Molecular Formula	C₂₄H₂₁Cl₂NO₅	Melting Point	/
MSDS	/	Flash Point	319.1±31.5 °C

Names

Name	(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
Synonym	More Synonyms

TR 14035 BiologicalActivity

Description	TR-14035 is a a dual alpha4beta7(IC50=7 nM)/alpha4beta1 (IC50=87 nM) integrin antagonist .IC50 Value: alpha(4)beta(7)/alpha(4)beta(1)=7/87 nM [1]Target: integrinTR14035 blocked the binding of human alpha(4)beta(7) to an (125)I-MAdCAM-Ig fusion protein with IC(50) values of 0.75 nM. TR14035 blocked binding of human alpha(4)beta(7)-expressing RPMI-8866 cells or murine mesenteric lymph node lymphocytes to MAdCAM-Ig with IC(50) values of 0.1 microM [2]. TR14035 blocked adhesion to HEVs [ED(50) of 0.01-0.1 mpk i.v.].TR-14035 was taken up by rat and human hepatocytes by an apparently single saturable mechanism with K(m) of 6.7 and 2.1 microM, respectively, and taurocholate and digoxin reduced this uptake [3].
Related Catalog	Signaling Pathways >>Cytoskeleton >>IntegrinResearch Areas >>Inflammation/Immunology
References	[1]. 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. [2]. 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.

Description

TR-14035 is a a dual alpha4beta7(IC50=7 nM)/alpha4beta1 (IC50=87 nM) integrin antagonist .IC50 Value: alpha(4)beta(7)/alpha(4)beta(1)=7/87 nM [1]Target: integrinTR14035 blocked the binding of human alpha(4)beta(7) to an (125)I-MAdCAM-Ig fusion protein with IC(50) values of 0.75 nM. TR14035 blocked binding of human alpha(4)beta(7)-expressing RPMI-8866 cells or murine mesenteric lymph node lymphocytes to MAdCAM-Ig with IC(50) values of 0.1 microM [2]. TR14035 blocked adhesion to HEVs [ED(50) of 0.01-0.1 mpk i.v.].TR-14035 was taken up by rat and human hepatocytes by an apparently single saturable mechanism with K(m) of 6.7 and 2.1 microM, respectively, and taurocholate and digoxin reduced this uptake [3].

Related Catalog

Signaling Pathways >>Cytoskeleton >>IntegrinResearch Areas >>Inflammation/Immunology

References

[1]. 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.

[2]. 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.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	604.0±55.0 °C at 760 mmHg
Molecular Formula	C₂₄H₂₁Cl₂NO₅
Molecular Weight	474.333
Flash Point	319.1±31.5 °C
Exact Mass	473.079681
PSA	84.86000
LogP	3.67
Vapour Pressure	0.0±1.8 mmHg at 25°C
Index of Refraction	1.607
InChIKey	DRSJLVGDSNWQBI-SFHVURJKSA-N
SMILES	COc1cccc(OC)c1-c1ccc(CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1
Storage condition	2-8℃

Synonyms

(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(2',6'-dimethoxybiphenyl-4-yl)propanoic acid (non-preferred name)

(2S)-2-[(2,6-Dichlorobenzoyl)amino]-3-(2',6'-dimethoxy-4-biphenylyl)propanoic acid

TR-14035

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