2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether - Moligand™, Reagent grade , Potassium channel subfamily K member 2 opener, CAS No.13838-16-9, Potassium channel subfamily K member 2 opener

CAS: 13838-16-9 Cat. No.: C478686 Peso molecular: 184.49 Número EC: 237-553-4

GRADE & PURITY Moligand™, Reagent Grade

Synonyms

EN300-123045 | (2RS)-2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane | BRN 1903921 | Anesthetic Compound No. 347 | EINECS 237-553-4 | Methylflurether | ENFLURANE (MART.) | Enfluranum [INN-Latin] | WLN: GYFXFFOYFF | 2-Chloro-1,1,2-trifluoroethyl difluor

Storage

Room temperature

Specifications

Sinónimos

EN300-123045 | (2RS)-2-Chloro-1-(difluoromethoxy)-1, 1, 2-trifluoroethane | BRN 1903921 | Anesthetic Compound No. 347 | EINECS 237-553-4 | Methylflurether | ENFLURANE (MART.) | Enfluranum [INN-Latin] | WLN: GYFXFFOYFF | 2-Chloro-1, 1, 2-trifluoroethyl difluor

Especificaciones y pureza

Moligand™, Reagent grade

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™, Reagent Grade

Tipo de acción

POSITIVE MODULATOR

Mecanismo de acción

Potassium channel subfamily K member 2 opener

Nombres e identificadores

• Sonrisas canónicas: C(C(OC(F)F)(F)F)(F)Cl
• IUPAC Name: 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
• InChIKey: JPGQOUSTVILISH-UHFFFAOYSA-N
• INCHI: 1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
• Isómeros SMILES: C(C(OC(F)F)(F)F)(F)Cl
• Peso molecular: 184.49
• Reaxy-Rn: 1903921
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903921&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Organooxygen compounds Organochlorides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• External Descriptors: organofluorine compound - organochlorine compound - ether

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)

Homo sapiens (32628 Activities)

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Canis familiaris (36305 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 184.490 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 183.971 Da
• Monoisotopic Mass: 183.971 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 107.000
• 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