NS 6180 - Moligand™, ≥98% , Channel blocker of K Ca3.1, CAS No.353262-04-1, Channel blocker of K Ca3.1

CAS: 353262-04-1 Cat. No.: N288469 분자식: C₁₆H₁₂F₃NOS 분자량: 323.33 EC 번호: 803-402-1

GRADE & PURITY Moligand™, ≥98%

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

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

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

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Potent KCa3.1 channel blocker (IC50values are 9, 14 and 15 nM for rat, human and mouse erythrocyte KCa3.1 channels respectively). Exhibits ~ 50% inhibition of KCa1.1, KV1.3, and KV11.1 channels, noradrenaline and dopamine transporters, L-type Ca2+channels

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

CHANNEL BLOCKER

작동 메커니즘

Channel blocker of K Ca3.1

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504766779
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766779
• 정식 스마일: C1C(=O)N(C2=CC=CC=C2S1)CC3=CC(=CC=C3)C(F)(F)F
• 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
• 이성체 SMILES: C1C(=O)N(C2=CC=CC=C2S1)CC3=CC(=CC=C3)C(F)(F)F
• 대체 CAS: 353262-04-1
• UN 번호: 3077
• 포장 그룹: III
• MeSH 용어: 4-((3-(trifluoromethyl)phenyl)methyl)-2H-1,4-benzothiazin-3(4H)-one;NS6180
• 분자량: 323.33
• Reaxy-Rn: 29789173
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29789173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

관련 대상(비인간)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 32.33, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 32.33, Max Conc. mM: 100
• 분자량: 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