Co 102862 - ≥99% , CAS No.181144-66-1

CAS: 181144-66-1 Cat. No.: C274997 分子式: C₁₄H₁₂FN₃O₂ 分子量: 273.3

グレード＆純度 ≥99%

Synonyms

NCGC00167807-01 | BCP32511 | J-011566 | HMS3677N07 | MS-23875 | FPhOBal semicarbazone | 0KN11H90GF | 2-(4-(4-Fluorophenoxy)benzylidene)hydrazinecarboxamide | UNII-0KN11H90GF | Ethylene, 1,1-bis(p-chlorophenyl)-2-chloro- | AKOS016004881 | A920653 | CO-1028

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Application：

Co 102862 (cas# 181144-66-1) is a useful research chemical.

Co 102862 is an orally active anticonvulsant with robust activity in a variety of rodent models of epilepsy. Inhibition of voltage-gated Na+ channels is a major mechanism underlying the anticonvulsant properties of Co 102862.

仕様

同義語

NCGC00167807-01 | BCP32511 | J-011566 | HMS3677N07 | MS-23875 | FPhOBal semicarbazone | 0KN11H90GF | 2-(4-(4-Fluorophenoxy)benzylidene)hydrazinecarboxamide | UNII-0KN11H90GF | Ethylene, 1,1-bis(p-chlorophenyl)-2-chloro- | AKOS016004881 | A920653 | CO-1028

仕様と純度

≥99%

生化学的・生理学的メカニズム

Potent, broad spectrum voltage gate Na + channel blocker (K i value = 600 nM). Displays ~ 80-fold higher affinity for the inactivated compared to resting state channels. Orally active. Anticonvulsant. Active in vivo and in vitro .

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥99%

名前と識別子

パブケム・シド

504764901

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504764901

カノニカル・スマイル

C1=CC(=CC=C1C=NNC(=O)N)OC2=CC=C(C=C2)F

IUPAC Name

[(E)-[4-(4-fluorophenoxy)phenyl]methylideneamino]urea

InChIKey

MHUUDVZSPFRUSK-RQZCQDPDSA-N

INCHI

1S/C14H12FN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+

異性体SMILES

C1=CC(=CC=C1/C=N/NC(=O)N)OC2=CC=C(C=C2)F

分子量

273.3

Reaxy-Rn

7590899

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7590899&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Fluorobenzenes Semicarbazones Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Semicarbazone - Semicarbazide - Ether - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

関連ターゲット（人間）

SCN9A Tclin Sodium channel protein type 9 subunit alpha (1 Activities)

Discover Target: SCN9A

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

SCN4A Tclin Sodium channel protein type 4 subunit alpha (1 Activities)

Discover Target: SCN4A

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

関連ターゲット（非人間）

Scn9a Sodium channel protein type IX alpha subunit (69 Activities)

Discover Target: Scn9a

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Scn4a Sodium channel protein type IV alpha subunit (55 Activities)

Discover Target: Scn4a

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rep Replicase polyprotein 1ab (378 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO to 100 mM
• 分子量: 273.260 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 273.091 Da
• Monoisotopic Mass: 273.091 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 335.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1