ML 10302 hydrochloride - ≥99%(HPLC) , CAS No.186826-17-5

CAS: 186826-17-5 Cat. No.: M287855 Molecular Weight: 349.25

GRADE & PURITY ≥99%(HPLC)

Synonyms

FT-0672431 | ML 10302 HYDROCHLORIDE | AKOS024457643 | HY-14442 | monohydrochloride (9CI) | 4-Amino-5-chloro-2-methoxybenzoic Acid 2-(1-Piperidinyl)ethyl Ester Hydrochloride | DTXSID80719340 | 2-(Piperidin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate--hyd

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

FT-0672431 | ML 10302 HYDROCHLORIDE | AKOS024457643 | HY-14442 | monohydrochloride (9CI) | 4-Amino-5-chloro-2-methoxybenzoic Acid 2-(1-Piperidinyl)ethyl Ester Hydrochloride | DTXSID80719340 | 2-(Piperidin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate--hyd

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

Potent 5-HT4partial agonist (EC50= 4 nM) that displays > 680-fold selectivity over 5-HT3receptors (Kivalues are 1.07 and 730 nM respectively). Increases sAPPαlevels in the cortex in an animal model of Alzheimer's disease and exhibits progastrokinetic effe

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 504771524
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771524
• Canonical Smiles: COC1=CC(=C(C=C1C(=O)OCCN2CCCCC2)Cl)N.Cl
• IUPAC Name: 2-piperidin-1-ylethyl 4-amino-5-chloro-2-methoxybenzoate;hydrochloride
• InChIKey: HBLRTSYSGOFQCK-UHFFFAOYSA-N
• INCHI: 1S/C15H21ClN2O3.ClH/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18;/h9-10H,2-8,17H2,1H3;1H
• Isomeric SMILES: COC1=CC(=C(C=C1C(=O)OCCN2CCCCC2)Cl)N.Cl
• Molecular Weight: 349.25
• Reaxy-Rn: 7672788
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7672788&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 O-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: O-methoxybenzoic acids and derivatives
• Alternative Parents: 3-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Piperidines Carboxylic acid esters Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrochlorides Organic oxides Organochlorides Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-methoxybenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminophenyl ether - Methoxyaniline - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Aniline or substituted anilines - Methoxybenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl halide - Piperidine - Aryl chloride - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 17.46, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 6.99, Max Conc. mM: 20
• Molecular Weight: 349.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 348.101 Da
• Monoisotopic Mass: 348.101 Da
• Topological Polar Surface Area: 64.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 337.000
• 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

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