Camicinal hydrochloride - ≥98% , CAS No.923565-22-4

CAS: 923565-22-4 Cat. No.: C647138 Molecular Weight: 461.02 EC Number: 691-698-1 PubChem CID: 25222897

GRADE & PURITY ≥98%

Synonyms

AKOS030527002 | GSK962040 (HCl salt) | MS-28466 | Camicinal hydrochloride | GSK962040 (hydrochloride) | HY-10922A | F85007 | Ethanone, 1-[4-[(3-fluorophenyl)amino]-1-piperidinyl]-2-[4-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]-, hydrochloride (1:1)

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Camicinal hydrochloride (GSK962040 hydrochloride) is a small molecule, selective motilin receptor agonist with pEC 50 of 7.9.

In Vitro

Camicinal hydrochloride (GSK962040 hydrochloride) had no significant activity at a range of other receptors (including ghrelin), ion channels and enzymes. In rabbit gastric antrum, Camicinal hydrochloride (GSK962040 hydrochloride) 300 nmol L 1-10 μmol L 1 caused a prolonged facilitation of the amplitude of cholinergically mediated contractions, to a maximum of 248 ± 47% at 3 μmol L 1. The pEC50 values for motilin, erythromycin and Camicinal hydrochloride (GSK962040 hydrochloride) were, respectively, 10.4 ± 0.01 (n = 770), 7.3 ± 0.29 (n = 4) and 7.9 ± 0.09 (n = 17) . Camicinal hydrochloride (GSK962040 hydrochloride) activated the dog motilin receptor (pEC50 5.79; intrinsic activity 0.72, compared with [Nle13]-motilin) . Camicinal hydrochloride (GSK962040 hydrochloride) was preferred because its initial IC 50 values at CYP3A4 were significantly higher than our preferred threshold of 10 μM . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Camicinal (GSK962040) (5 mg free base kg 1) also produced an increase in total faecal weight over the 2-h postdose period (21.2 ± 4.5 g; P < 0.05) . Camicinal (GSK962040) induced phasic contractions, the duration of which was dose-related (48 and 173 min for 3 and 6 mg kg 1), driven by mean plasma concentrations >1.14 μmol L 1. After the effects of Camicinal (GSK962040) faded, migrating motor complex (MMC) activity returned. Migrating motor complex restoration was unaffected by 3 mg kg 1 Camicinal (GSK962040) but at 6 mg kg 1, MMCs returned 253 min after dosing, compared with 101 min after saline (n = 5 each) . he oral bioavailability (Fpo) of Camicinal (GSK962040) was found to be 48 ( 13%. Camicinal (GSK962040) shows a long lasting effect (T1/2 ) 46.9 ( 5.0 min at 3 μM) when compared with the short-lived effect of [Nle13]motilin (T1/2 ) 11.4 ( 1.5 min at 0.3 μM) . Camicinal (GSK962040) strongly facilitated cholinergic activity in the antrum, with lower activity in fundus and small intestine only. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:pEC50: 7.9 (Motilin Receptor)

Specifications

Synonyms

AKOS030527002 | GSK962040 (HCl salt) | MS-28466 | Camicinal hydrochloride | GSK962040 (hydrochloride) | HY-10922A | F85007 | Ethanone, 1-[4-[(3-fluorophenyl)amino]-1-piperidinyl]-2-[4-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]-, hydrochloride (1:1)

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Camicinal hydrochloride (GSK962040 hydrochloride) is a small molecule, selective motilin receptor agonist with pEC 50 of 7.9.

Storage

Store at -20°C, Argon charged, Desiccated

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: CC1CN(CCN1)CC2=CC=C(C=C2)CC(=O)N3CCC(CC3)NC4=CC(=CC=C4)F.Cl
• IUPAC Name: 1-[4-(3-fluoroanilino)piperidin-1-yl]-2-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]ethanone;hydrochloride
• InChIKey: MZEVMNJFEUATKJ-FYZYNONXSA-N
• INCHI: 1S/C25H33FN4O.ClH/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24;/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3;1H/t19-;/m0./s1
• Isomeric SMILES: C[C@H]1CN(CCN1)CC2=CC=C(C=C2)CC(=O)N3CCC(CC3)NC4=CC(=CC=C4)F.Cl
• Alternate CAS: 923565-22-4
• PubChem CID: 25222897
• Molecular Weight: 461.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: N-acylpiperidines Aniline and substituted anilines Benzylamines Phenylalkylamines Phenylmethylamines N-alkylpiperazines Fluorobenzenes Aminopiperidines Secondary alkylarylamines Aryl fluorides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylacetamide - N-acyl-piperidine - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Phenylalkylamine - 4-aminopiperidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - N-alkylpiperazine - Aralkylamine - Piperidine - Piperazine - Aryl halide - Aryl fluoride - 1,4-diazinane - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Hydrochloride - Amine - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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)

MLNR Tchem Motilin receptor (0 Activities)

Discover Target: MLNR

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O : 100 mg/mL (216.91 mM; Need ultrasonic) DMSO : 100 mg/mL (216.91 mM; Need ultrasonic)