NS6180 - Moligand™ , Channel blocker of K Ca3.1, CAS No.N612405, Channel blocker of K Ca3.1

CAS: N612405 Cat. No.: N612405 PubChem CID: 11837221

GRADE & PURITY Moligand™

Synonyms

NCGC00379216-03 | 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one | J-690286 | 4-(3-(trifluoromethyl)benzyl)-2H-benzo[b][1,4]thiazin-3(4H)-one | AKOS024458383 | BCP15694 | ZUIJXKLTUFCDGO-UHFFFAOYSA-N | ns6180 | NS-6180 | MFCD01833144 | GTPL93

Storage

Room temperature

Specifications

同義語

NCGC00379216-03 | 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one | J-690286 | 4-(3-(trifluoromethyl)benzyl)-2H-benzo[b][1,4]thiazin-3(4H)-one | AKOS024458383 | BCP15694 | ZUIJXKLTUFCDGO-UHFFFAOYSA-N | ns6180 | NS-6180 | MFCD01833144 | GTPL93

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

CHANNEL BLOCKER

作用メカニズム

Channel blocker of K Ca3.1

名前と識別子

• カノニカル・スマイル: O=C1CSc2c(N1Cc1cccc(c1)C(F)(F)F)cccc2
• IUPAC Name: 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one
• InChIKey: ZUIJXKLTUFCDGO-UHFFFAOYSA-N
• INCHI: 1S/C16H12F3NOS/c17-16(18,19)12-5-3-4-11(8-12)9-20-13-6-1-2-7-14(13)22-10-15(20)21/h1-8H,9-10H2
• 異性体SMILES: C1C(=O)N(C2=CC=CC=C2S1)CC3=CC(=CC=C3)C(F)(F)F
• PubChem CID: 11837221

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzothiazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazines
• Alternative Parents: Trifluoromethylbenzenes Alkylarylthioethers 1,4-thiazines Tertiary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Trifluoromethylbenzene - Benzothiazine - Aryl thioether - Alkylarylthioether - Para-thiazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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）

KCNN4 Tchem Intermediate conductance calcium-activated potassium channel protein 4 (1 Activities)

Discover Target: KCNN4

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

関連ターゲット（非人間）

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: 323.300 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 323.059 Da
• Monoisotopic Mass: 323.059 Da
• Topological Polar Surface Area: 45.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 415.000
• 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

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is N612405. InChIKey ZUIJXKLTUFCDGO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.