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

CAS: 1135242-13-5 Cat. No.: V134258 Peso molecular: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488200737
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200737
• Sonrisas canónicas: 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
• Isómeros SMILES: CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2C.Cl
• WGK Alemania: 2
• PubChem CID: 25010775
• Peso molecular: 369.89

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 9.25, Max Conc. mM: 25; Solvent:DMSO, Max Conc. mg/mL: 1.85, Max Conc. mM: 5
• Sensibilidad: Moisture sensitive
• Peso molecular: 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