ICA-27243 - Moligand™,≥98% , Activator of K v7.2, CAS No.325457-89-4, Activator of K v7.2

CAS: 325457-89-4 Cat. No.: I610913 Peso molecular: 268.65 PubChem CID: 9903497

GRADE & PURITY Moligand™, ≥98%

Synonyms

I-130 | UNII-VU7278D853 | W10725 | ICA 27243 | VU0409857-1 | ZTZ233 | A1-06007 | BDBM50420049 | VU7278D853 | Q27078022 | ICA-027243 | SCHEMBL367538 | AKOS016340338 | Benzamide, N-(6-chloro-3-pyridinyl)-3,4-difluoro- | GG-0057 | N-(6-chloropyridin-3-yl)-3,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

ICA-27243 is a selective, potent active KCNQ2/Q3 potassium channel opener with an EC50 of 0.38 μM. ICA-27243 is less effective at activating KCNQ4 and KCNQ3/Q5. ICA-27243 has antiepileptic and anticonvulsant effects

Specifications

Sinónimos

I-130 | UNII-VU7278D853 | W10725 | ICA 27243 | VU0409857-1 | ZTZ233 | A1-06007 | BDBM50420049 | VU7278D853 | Q27078022 | ICA-027243 | SCHEMBL367538 | AKOS016340338 | Benzamide, N-(6-chloro-3-pyridinyl)-3, 4-difluoro- | GG-0057 | N-(6-chloropyridin-3-yl)-3,

Especificaciones y pureza

Moligand™, ≥98%

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.

Grado

Moligand™

Tipo de acción

ACTIVATOR

Mecanismo de acción

Activator of K v7.2

Nota

EC₅₀

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1C(=O)NC2=CN=C(C=C2)Cl)F)F
• IUPAC Name: N-(6-chloropyridin-3-yl)-3,4-difluorobenzamide
• InChIKey: GDGUOCFTHNGPBK-UHFFFAOYSA-N
• INCHI: 1S/C12H7ClF2N2O/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-9(14)10(15)5-7/h1-6H,(H,17,18)
• Isómeros SMILES: C1=CC(=C(C=C1C(=O)NC2=CN=C(C=C2)Cl)F)F
• PubChem CID: 9903497
• Peso molecular: 268.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives 2-halopyridines Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organooxygen compounds Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 2-halopyridine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
• 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

Objetivos asociados (humanos)

KCNQ2 Tclin Potassium voltage-gated channel subfamily KQT member 2 (1 Activities)

Discover Target: KCNQ2

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

KCNQ4 Tclin Voltage-gated potassium channel subunit Kv7.4 (100 Activities)

Discover Target: KCNQ4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNQ1 Tclin Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) (185 Activities)

Discover Target: KCNQ1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNQ2 Tclin Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) (372 Activities)

Discover Target: KCNQ2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Kcnq2 Voltage-gated potassium channel subunit Kv7.2 (95 Activities)

Discover Target: Kcnq2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cynomolgus monkey (4946 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 268.640 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.021 Da
• Monoisotopic Mass: 268.021 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 306.000
• 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: 1