CJ 033466 - ≥98%(HPLC) , CAS No.519148-48-2

CAS: 519148-48-2 Cat. No.: C288590 Molecular Weight: 377.91

GRADE & PURITY ≥98%(HPLC)

Synonyms

ISKHMDNIWXPUGR-UHFFFAOYSA-N | Imidazo(1,2-a)pyridine-8-carboxamide, 5-amino-6-chloro-2-methyl-N-((1-(2-methylpropyl)-4-piperidinyl)methyl)- | MS-26161 | Q5011977 | AKOS024457419 | BDBM50417945 | UNII-9KUW8W70PJ | HY-103108 | 5-Amino-6-chloro-2-methyl-N-[[

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

CJ033466 is a novel and selective 5-HT4 receptor partial agonist with an EC50 of 9 nM and has gastroprokinetic effect.

Specifications

Synonyms

ISKHMDNIWXPUGR-UHFFFAOYSA-N | Imidazo(1, 2-a)pyridine-8-carboxamide, 5-amino-6-chloro-2-methyl-N-((1-(2-methylpropyl)-4-piperidinyl)methyl)- | MS-26161 | Q5011977 | AKOS024457419 | BDBM50417945 | UNII-9KUW8W70PJ | HY-103108 | 5-Amino-6-chloro-2-methyl-N-[[

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective 5-HT4partial agonist (EC50= 0.927 nM). Displays > 1000-fold selectivity for 5-HT4over other 5-HT and D2receptors. Exhibits gastroprokinetic effectsin vivofollowing oral administration. Weakly blocks hERG (IC50= 2.6μM).

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC1=CN2C(=C(C=C(C2=N1)C(=O)NCC3CCN(CC3)CC(C)C)Cl)N
• IUPAC Name: 5-amino-6-chloro-2-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
• InChIKey: ISKHMDNIWXPUGR-UHFFFAOYSA-N
• INCHI: 1S/C19H28ClN5O/c1-12(2)10-24-6-4-14(5-7-24)9-22-19(26)15-8-16(20)17(21)25-11-13(3)23-18(15)25/h8,11-12,14H,4-7,9-10,21H2,1-3H3,(H,22,26)
• Isomeric SMILES: CC1=CN2C(=C(C=C(C2=N1)C(=O)NCC3CCN(CC3)CC(C)C)Cl)N
• Molecular Weight: 377.91
• Reaxy-Rn: 14103024
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14103024&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Pyridinecarboxamides Imidazo[1,2-a]pyridines Aminopyridines and derivatives Piperidines Aryl chlorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Aminopyridine - Aryl chloride - Aryl halide - N-substituted imidazole - Piperidine - Pyridine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)

Discover Target: KCNH2

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 37.79, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 37.79, Max Conc. mM: 100
• Sensitivity: light sensitive
• Molecular Weight: 377.900 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 377.198 Da
• Monoisotopic Mass: 377.198 Da
• Topological Polar Surface Area: 75.700 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 483.000
• 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