Co 102862 - ≥99% , CAS No.181144-66-1

CAS: 181144-66-1 Cat. No.: C274997 Molecular Weight: 273.3

GRADE & PURITY ≥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

Overview

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.

Specifications

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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 .

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

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.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504764901
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764901
• Canonical Smiles: 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+
• Isomeric SMILES: C1=CC(=CC=C1/C=N/NC(=O)N)OC2=CC=C(C=C2)F
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Associated Targets(non-human)

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

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

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

Discover Target: Scn4a

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM
• Molecular Weight: 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