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 Formula: C₉H₉O₃Cl Peso molecolare: 200.62 Numero EC: 221-991-8

QUALITÀ & PUREZZA 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

Specifiche

Sinonimi

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-(-)

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Moligand™

Tipo di azione

CHANNEL BLOCKER

Meccanismo d'azione

Channel blocker of ClC-1

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528755915

Sorrisi canonici

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)

Isomeri SMILES

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

CAS alternativo

3307-39-9

Numero NSC

70174

Termini 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 molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass 2-phenoxypropionic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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)

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 114.0 to 118.0 °C
• Peso molecolare: 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