TGR5

Modify Date: 2024-01-02 00:48:54

TGR5 structure	Common Name	TGR5
	CAS Number	1197300-24-5	Molecular Weight	361.222
	Density	1.3±0.1 g/cm3	Boiling Point	541.8±50.0 °C at 760 mmHg
	Molecular Formula	C₁₈H₁₄Cl₂N₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	281.5±30.1 °C

Use of TGR5

TGR5 Receptor Agonist, a potent TGR5(GPCR19) agonist, showed improved potency in the U2-OS cell assay (pEC50 = 6.8) and in melanophore cells (pEC50 = 7.5).IC50 value: 6.8 (pEC50, U2-OS cell assay); 7.5(pEC50, melanophore cell) [1]Target: TGR5TGR5 Receptor Agonist was profiled against more than 100 in-house and external 7TM, ion channel, enzyme, transporter, and nuclear hormone receptor selectivity assays, including FXR, another bile acid receptor, and showed significant response only in secretion of the pro-inflammatory cytokine TNFalpha (pIC50 = 6.8) in human primary monocytes following stimulation with LPS (lipopolysaccharide). In addition, TGR5 Receptor Agonist has good physicochemical properties and no measurable activity against three of the common cytochrome P450 (CYP450) isoforms (1A2, 2C9, and 2D6) or hERG dofetilide binding (pIC50 <4.3). In rat pharmacokinetic (PK) studies, however, TGR5 Receptor Agonist showed high in vivo clearance (Cl = 85 mL/min/kg) and intrinsic clearance (Clint = 48 mL/min/g) which provided a reasonable explanation for the observed poor exposure. Because the TGR5 receptor is expressed in the GI tract at levels that increase corresponding with L-cell population density, we believe that agonists such as 6 and 7 possessing poor systemic exposure are good tool compounds for directly targeting the TGR5 receptor in the GI tract via local administration (vide infra) rather than systemic exposure. Our hypothesis was that for this receptor, systemic exposure was not necessary to achieve the desired effect of stimulating GLP-1 secretion in vivo [1].

Name	3-(2-Chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4- carboxamide
Synonym	More Synonyms

Description	TGR5 Receptor Agonist, a potent TGR5(GPCR19) agonist, showed improved potency in the U2-OS cell assay (pEC50 = 6.8) and in melanophore cells (pEC50 = 7.5).IC50 value: 6.8 (pEC50, U2-OS cell assay); 7.5(pEC50, melanophore cell) [1]Target: TGR5TGR5 Receptor Agonist was profiled against more than 100 in-house and external 7TM, ion channel, enzyme, transporter, and nuclear hormone receptor selectivity assays, including FXR, another bile acid receptor, and showed significant response only in secretion of the pro-inflammatory cytokine TNFalpha (pIC50 = 6.8) in human primary monocytes following stimulation with LPS (lipopolysaccharide). In addition, TGR5 Receptor Agonist has good physicochemical properties and no measurable activity against three of the common cytochrome P450 (CYP450) isoforms (1A2, 2C9, and 2D6) or hERG dofetilide binding (pIC50 <4.3). In rat pharmacokinetic (PK) studies, however, TGR5 Receptor Agonist showed high in vivo clearance (Cl = 85 mL/min/kg) and intrinsic clearance (Clint = 48 mL/min/g) which provided a reasonable explanation for the observed poor exposure. Because the TGR5 receptor is expressed in the GI tract at levels that increase corresponding with L-cell population density, we believe that agonists such as 6 and 7 possessing poor systemic exposure are good tool compounds for directly targeting the TGR5 receptor in the GI tract via local administration (vide infra) rather than systemic exposure. Our hypothesis was that for this receptor, systemic exposure was not necessary to achieve the desired effect of stimulating GLP-1 secretion in vivo [1].
Related Catalog	Signaling Pathways >> GPCR/G Protein >> GPCR19 Research Areas >> Metabolic Disease
References	[1]. Evans KA, et al. Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists. J Med Chem. 2009 Dec 24;52(24):7962-5.

Density	1.3±0.1 g/cm3
Boiling Point	541.8±50.0 °C at 760 mmHg
Molecular Formula	C₁₈H₁₄Cl₂N₂O₂
Molecular Weight	361.222
Flash Point	281.5±30.1 °C
Exact Mass	360.043243
PSA	46.34000
LogP	3.30
Appearance of Characters	white solid
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.627
Storage condition	-20℃

4-Chloro-N-meth...

CAS#:932-96-7

3-(2-chlorophen...

CAS#:25629-50-9

~72%

TGR5

CAS#:1197300-24-5

Literature: Evans, Karen A.; Budzik, Brian W.; Ross, Sean A.; Wisnoski, David D.; Jin, Jian; Rivero, Ralph A.; Vimal, Mythily; Szewczyk, George R.; Jayawickreme, Channa; Moncol, David L.; Rimele, Thomas J.; Armour, Susan L.; Weaver, Susan P.; Griffin, Robert J.; Tadepalli, Sarva M.; Jeune, Michael R.; Shearer, Todd W.; Chen, Zibin B.; Chen, Lihong; Anderson, Donald L.; Becherer, J. David; De Los Frailes, Maite; Colilla, Francisco Javier Journal of Medicinal Chemistry, 2009 , vol. 52, # 24 p. 7962 - 7965

Precursor 2
CAS#:932-96-7 4-Chloro-N-meth... CAS#:25629-50-9 3-(2-chlorophen...
DownStream 0

Ether,heptafluoropropyl vinyl

TGR5 Receptor Agonist

3-(2-Chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-

heptafluoropropyl vinyl ether

Perfluoro propyl vinyl ether

CCDC

TGR5

DC Chemicals Limited
China
Product Name: CCDC(TGR5-Receptor-Agonist)
Price: $475.0/100mg $950.0/250mg $1900.0/1g
Purity: 98.0%
Stocking Period: 3 Day
Contact: Tony Cao

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

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TGR5

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