SR 146131 - ≥98% , CAS No.221671-61-0

CAS: 221671-61-0 Cat. No.: S647898 Molecular Weight: 610.16 PubChem CID: 9852833

GRADE & PURITY ≥98%

Synonyms

AKOS040742648 | NFDFTMICKVDYLQ-UHFFFAOYSA-N | HY-11077 | GTPL868 | SCHEMBL1008694 | (2-{[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl}-5,7-dimethyl-1H-indol-1-yl)acetic acid | IA1 | Q27088862 | CID 9852833 | 2-(4- (4-C

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SR 146131 is a potent, orally available, and selective nonpeptide ( cholecystokinin 1 ) receptor agonist.

In Vitro

SR 146131 inhibits in the binding of [ 125 I]-BH-CCK-8S to CCK1sites on 3T3-hCCK1 cell membranes with an IC 50 value of 0.56 ± 0.10 nM. At much higher concentrations, SR 146131 also inhibits the binding of radiolabeled CCK to CCK2sites in CHO-hCCK2 membranes with an IC 50 of 162 ± 27 nM. SR 146131 is a potent CCK1 agonist on several intracellular events linked to CCK1 receptor activation in various cell types: on [Ca 2+ ]i release and IP1 formation, SR 146131 appears as a full CCK1 receptor agonist in the 3T3-hCCK1 cells, but a partial CCK1receptor agonist on MAPK activation and early gene expression in this cell line. SR 146131 also acts as a partial agonist in the two neuroblastoma cell lines. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

SR 146131 completely inhibits gastric and gallbladder emptying in mice (ED 50 of 66 and 2.7 μg/kg p.o., respectively). SR 146131 dose dependently reduces food intake in fasted rats (from 0.1 mg/kg p.o.), in nonfasted rats in which food intake has been highly stimulated by the administration of neuropeptide Y (1–36) (from 0.3 mg/kg p.o.), in fasted gerbils (from 0.1 mg/kg p.o.), and in marmosets maintained on a restricted diet (from 3 mg/kg p.o.). SR 146131 (10 mg/kg p.o.) also increases the number of Fos-positive cells in the hypothalamic paraventricular nucleus of rats. Locomotor activity of mice is reduced by orally administered SR 146131 (from 0.3 mg/kg p.o.) . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Cholecystokinin 1 receptor

Specifications

Synonyms

AKOS040742648 | NFDFTMICKVDYLQ-UHFFFAOYSA-N | HY-11077 | GTPL868 | SCHEMBL1008694 | (2-{[4-(4-chloro-2, 5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1, 3-thiazol-2-yl]carbamoyl}-5, 7-dimethyl-1H-indol-1-yl)acetic acid | IA1 | Q27088862 | CID 9852833 | 2-(4- (4-C

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

SR 146131 is a potent, orally available, and selective nonpeptide ( cholecystokinin 1 ) receptor agonist.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C
• IUPAC Name: 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid
• InChIKey: NFDFTMICKVDYLQ-UHFFFAOYSA-N
• INCHI: 1S/C32H36ClN3O5S/c1-18-12-19(2)30-21(13-18)14-24(36(30)17-28(37)38)31(39)35-32-34-29(22-15-26(41-4)23(33)16-25(22)40-3)27(42-32)11-10-20-8-6-5-7-9-20/h12-16,20H,5-11,17H2,1-4H3,(H,37,38)(H,34,35,39)
• Isomeric SMILES: CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C
• Alternate CAS: 221671-61-0
• PubChem CID: 9852833
• MeSH Entry Terms: 2-(4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)thiazol-2-ylcarbamoyl)-5,7-dimethylindol-1-yl-1-acetic acid;SR 146131;SR-146131;SR146131
• Molecular Weight: 610.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: Indolecarboxamides and derivatives Dimethoxybenzenes N-alkylindoles Alpha amino acids and derivatives Indoles Anisoles Pyrrole carboxamides Phenoxy compounds 2,4,5-trisubstituted thiazoles 2-heteroaryl carboxamides Chlorobenzenes Alkyl aryl ethers Aryl chlorides Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - Indolecarboxylic acid derivative - Indolecarboxamide derivative - Dimethoxybenzene - P-dimethoxybenzene - Alpha-amino acid or derivatives - N-alkylindole - Indole - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Phenol ether - Anisole - Methoxybenzene - Phenoxy compound - 2,4,5-trisubstituted 1,3-thiazole - 2-heteroaryl carboxamide - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CCKAR Tclin Cholecystokinin receptor type A (0 Activities)

Discover Target: CCKAR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (409.73 mM; Need ultrasonic)
• Molecular Weight: 610.200 g/mol
• XLogP3: 8.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 609.206 Da
• Monoisotopic Mass: 609.206 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 925.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1