TC AQP1 1 - ≥98%(HPLC) , CAS No.37710-81-9

CAS: 37710-81-9 Cat. No.: T288661 Peso molecular: 218.211 PubChem CID: 794091

GRADE & PURITY ≥98%(HPLC)

Synonyms

A829502 | HY-110200 | TC AQP1 1 | 10.14272/KRXUBZPHAPGHPE-YDFGWWAZSA-N.1 | SR-01000203994-1 | SR-01000203994 | (2E)-3-{3-[(1E)-2-CARBOXYETH-1-EN-1-YL]PHENYL}PROP-2-ENOIC ACID | doi:10.14272/KRXUBZPHAPGHPE-YDFGWWAZSA-N.1 | BIM-0016783.P001 | EN300-833112 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product introduction

Aquaporin 1 (AQP1) channel blocker

Specifications

Sinónimos

A829502 | HY-110200 | TC AQP1 1 | 10.14272/KRXUBZPHAPGHPE-YDFGWWAZSA-N.1 | SR-01000203994-1 | SR-01000203994 | (2E)-3-{3-[(1E)-2-CARBOXYETH-1-EN-1-YL]PHENYL}PROP-2-ENOIC ACID | doi:10.14272/KRXUBZPHAPGHPE-YDFGWWAZSA-N.1 | BIM-0016783.P001 | EN300-833112 |

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Aquaporin 1 (AQP1) channel blocker (IC50= 8μM). Inhibits water flux inXenopusoocytes.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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: 504760163
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760163
• Sonrisas canónicas: C1=CC(=CC(=C1)C=CC(=O)O)C=CC(=O)O
• IUPAC Name: (E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
• InChIKey: KRXUBZPHAPGHPE-YDFGWWAZSA-N
• INCHI: 1S/C12H10O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-8H,(H,13,14)(H,15,16)/b6-4+,7-5+
• Isómeros SMILES: C1=CC(=CC(=C1)/C=C/C(=O)O)/C=C/C(=O)O
• PubChem CID: 794091
• Peso molecular: 218.211

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Styrenes Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Styrene - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 21.82, Max Conc. mM: 100
• Peso molecular: 218.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 218.058 Da
• Monoisotopic Mass: 218.058 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 287.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1