1-Ethylbenzimidazolinone - Moligand™, 10mM in DMSO , Activator of K Ca2.1;Activator of K Ca2.2;Activator of K Ca2.3;Activator of K Ca3.1, CAS No.10045-45-1, Activator of K Ca2.1;Activator of K Ca2.2;Activator of K Ca2.3;Activator of K Ca3.1

CAS: 10045-45-1 Cat. No.: E420268 分子式: C₉H₁₀N₂O 分子量: 162.2 EC番号: 233-148-1

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

2(1H)-Quinolinone, 6-hydroxy- | 2-chloro-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one | SCHEMBL12397237 | HMS1779F03 | HMS3267A18 | MFCD00005715 | Z57114989 | 1-EBIO, >=98% (HPLC) | 1-ethyl-1,3-dihydro-benzimidazol-2-one | 3-ethyl-1H-benzimidazol-2-one. | A89

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

2(1H)-Quinolinone, 6-hydroxy- | 2-chloro-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one | SCHEMBL12397237 | HMS1779F03 | HMS3267A18 | MFCD00005715 | Z57114989 | 1-EBIO, >=98% (HPLC) | 1-ethyl-1,3-dihydro-benzimidazol-2-one | 3-ethyl-1H-benzimidazol-2-one. | A89

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

Activator of small and intermediate conductance Ca 2+ activated K + channels (SK). Also activates apical membrane Cl- conductance CFTR channel.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

等級

Moligand™

アクションタイプ

ACTIVATOR

作用メカニズム

Activator of K Ca2.1;Activator of K Ca2.2;Activator of K Ca2.3;Activator of K Ca3.1

名前と識別子

パブケム・シド

528754316

カノニカル・スマイル

CCN1C2=CC=CC=C2NC1=O

IUPAC Name

3-ethyl-1H-benzimidazol-2-one

InChIKey

CXUCKELNYMZTRT-UHFFFAOYSA-N

INCHI

1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)

異性体SMILES

CCN1C2=CC=CC=C2NC1=O

WGKドイツ

3

分子量

162.2

Reaxy-Rn

137120

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=137120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: N-substituted imidazoles Benzenoids Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Urea - Azacycle - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: imidazoles

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）

KCNN3 Tchem Small conductance calcium-activated potassium channel protein 3 (1 Activities)

Discover Target: KCNN3

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

KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (2 Activities)

Discover Target: KCNN2

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

関連ターゲット（非人間）

Kcnn3 Small conductance calcium-activated potassium channel protein 3 (210 Activities)

Discover Target: Kcnn3

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 162.190 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 162.079 Da
• Monoisotopic Mass: 162.079 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 193.000
• 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