VU 0357017 Hydrochloride - ≥98%(HPLC) , CAS No.1135242-13-5

CAS: 1135242-13-5 Cat. No.: V134258 Molecular Weight: 369.89 PubChem CID: 25010775

GRADE & PURITY ≥98%(HPLC)

Synonyms

EX-A1757 | N-ACETYL PROCAINAMIDE(<30%) | Ethyl 4-{[2-(2-methylbenzamido)ethyl]amino}piperidine-1-carboxylate--hydrogen chloride (1/1) | J-002978 | VU0357017 | 4-[[2-[(2-methylbenzoyl)amino]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester, monohydrochl

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

VU0357017 hydrochloride (CID-25010775) is a potent, selective and brain-penetrant allosteric agonist of M1 muscarinic acetylcholine receptor, with an EC50 of 477 nM. VU0357017 hydrochloride is highly selective for M1 and has no activity at M2-M5 up to the highest concentrations tested (30 μM). VU0357017 hydrochloride can be used for the research of Alzheimer’s disease and schizophrenia。

Specifications

Synonyms

EX-A1757 | N-ACETYL PROCAINAMIDE(<30%) | Ethyl 4-{[2-(2-methylbenzamido)ethyl]amino}piperidine-1-carboxylate--hydrogen chloride (1/1) | J-002978 | VU0357017 | 4-[[2-[(2-methylbenzoyl)amino]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester, monohydrochl

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Positive allosteric modulator of muscarinic M1receptors (EC50= 198 nM). Displays no activity at M2-M5at concentrations up to 30μM. Potentiates NMDA receptor currents in hippocampal neurons; activity reverses cognitive decifits in a rodent model of hippoca

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488200737
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200737
• Canonical Smiles: CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2C.Cl
• IUPAC Name: ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate;hydrochloride
• InChIKey: XKJQVUIXSBOCPP-UHFFFAOYSA-N
• INCHI: 1S/C18H27N3O3.ClH/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2;/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22);1H
• Isomeric SMILES: CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2C.Cl
• WGK Germany: 2
• PubChem CID: 25010775
• Molecular Weight: 369.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: o-Toluamides Benzamides Benzoyl derivatives Aminopiperidines Carbamate esters Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoic acid or derivatives - Piperidinecarboxylic acid - O-toluamide - Toluamide - Benzoyl - 4-aminopiperidine - Toluene - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

Discover Target: CHRM2

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)

Discover Target: CHRM4

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

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

Discover Target: CHRM5

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

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

Discover Target: CHRM3

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 9.25, Max Conc. mM: 25; Solvent:DMSO, Max Conc. mg/mL: 1.85, Max Conc. mM: 5
• Sensitivity: Moisture sensitive
• Molecular Weight: 369.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 369.182 Da
• Monoisotopic Mass: 369.182 Da
• Topological Polar Surface Area: 70.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 408.000
• 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: 2

XLogP3