SB 203186 hydrochloride - ≥99%(HPLC) , CAS No.207572-69-8

CAS: 207572-69-8 Cat. No.: S288754 Formule: C₁₆H₂₀N₂O₂•HCl Poids moléculaire: 308.81 PubChem CID: 9926639

GRADE & PURITY ≥99%(HPLC)

Synonyms

2-piperidin-1-ylethyl 1H-indole-3-carboxylate;hydrochloride | SMR001230766 | MLS002153377 | AKOS024458649 | 2-(PIPERIDIN-1-YL)ETHYL 1H-INDOLE-3-CARBOXYLATE HYDROCHLORIDE | piperidin-1-ylethyl-1h-indole-3-carboxylate hydrochloride | SB203186 | SR-010000758

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

2-piperidin-1-ylethyl 1H-indole-3-carboxylate;hydrochloride | SMR001230766 | MLS002153377 | AKOS024458649 | 2-(PIPERIDIN-1-YL)ETHYL 1H-INDOLE-3-CARBOXYLATE HYDROCHLORIDE | piperidin-1-ylethyl-1h-indole-3-carboxylate hydrochloride | SB203186 | SR-010000758

Spécifications et pureté

≥99%(HPLC)

Mécanismes biochimiques et physiologiques

Potent 5-HT4receptor antagonist with high affinity for human atrial 5-HT4receptors.

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%(HPLC)

Noms et identifiants

• Pubchem Sid: 504765105
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765105
• Sourires canoniques: C1CCN(CC1)CCOC(=O)C2=CNC3=CC=CC=C32.Cl
• IUPAC Name: 2-piperidin-1-ylethyl 1H-indole-3-carboxylate;hydrochloride
• InChIKey: LYMBEMCUJNDSBZ-UHFFFAOYSA-N
• INCHI: 1S/C16H20N2O2.ClH/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15;/h2-3,6-7,12,17H,1,4-5,8-11H2;1H
• Isomères SMILES: C1CCN(CC1)CCOC(=O)C2=CNC3=CC=CC=C32.Cl
• PubChem CID: 9926639
• Poids moléculaire: 308.81

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: Indoles Pyrrole carboxylic acids and derivatives Benzenoids Substituted pyrroles Piperidines Vinylogous amides Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Indole - Pyrrole-3-carboxylic acid or derivatives - Piperidine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Vinylogous amide - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrochloride - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
• 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

Cibles associées (humaines)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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HEK293 (82097 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
• Sensibilité: light sensitive;Moisture sensitive
• Poids moléculaire: 308.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 308.129 Da
• Monoisotopic Mass: 308.129 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 328.000
• 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