2-(4-Chlorophenoxy) propionic acid - Moligand™, ≥98% , Channel blocker of ClC-1, CAS No.3307-39-9, Channel blocker of ClC-1

CAS: 3307-39-9 Cat. No.: C183745 Fórmula: C₉H₉O₃Cl Peso molecular: 200.62 Número EC: 221-991-8

CALIDAD & PUREZA Moligand™, ≥98%

Synonyms

AKOS000103748 | CHEBI:34603 | Z56922097 | BBL002029 | MFCD00002647 | EN300-08066 | 2-(4-CHLOROPHENOXY)PROPANOIC ACID | SY082542 | .alpha.-(4-Chlorophenoxy)propionic acid | 2-(4-Chlorophenoxy) propionic acid 100 microg/mL in Acetonitrile | AS-14004 | S-(-)

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

AKOS000103748 | CHEBI:34603 | Z56922097 | BBL002029 | MFCD00002647 | EN300-08066 | 2-(4-CHLOROPHENOXY)PROPANOIC ACID | SY082542 | .alpha.-(4-Chlorophenoxy)propionic acid | 2-(4-Chlorophenoxy) propionic acid 100 microg/mL in Acetonitrile | AS-14004 | S-(-)

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Moligand™

Tipo de acción

CHANNEL BLOCKER

Mecanismo de acción

Channel blocker of ClC-1

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

528755915

Sonrisas canónicas

CC(C(=O)O)OC1=CC=C(C=C1)Cl

IUPAC Name

2-(4-chlorophenoxy)propanoic acid

InChIKey

DKHJWWRYTONYHB-UHFFFAOYSA-N

INCHI

1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)

Isómeros SMILES

CC(C(=O)O)OC1=CC=C(C=C1)Cl

CAS alternativo

3307-39-9

Número NSC

70174

Términos de entrada MeSH

2-(4-chlorophenoxy)propanoic acid;2-(4-chlorophenoxy)propionic acid;2-(4-chlorophenoxy)propionic acid, (+-)-isomer;2-(4-chlorophenoxy)propionic acid, (R)-isomer;2-(4-chlorophenoxy)propionic acid, (S)-isomer;2-(4-chlorophenoxy)propionic acid, potassium sal

Peso molecular

200.62

Reaxy-Rn

1911888

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911888&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass 2-phenoxypropionic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: 2-phenoxypropionic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenoxypropionic acids
• Alternative Parents: Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-phenoxypropionic acid - Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
• External Descriptors: monocarboxylic acid

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)

CLCN1 Tbio Chloride channel protein 1 (0 Activities)

Discover Target: CLCN1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 114.0 to 118.0 °C
• Peso molecular: 200.620 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.024 Da
• Monoisotopic Mass: 200.024 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1