Chromanol 293B - Moligand™,≥99% , Channel blocker of K v7.1, CAS No.163163-23-3, Channel blocker of K v7.1

CAS: 163163-23-3 Cat. No.: C288018 분자식: C₁₅H₂₀N₂O₄S 분자량: 324.39 EC 번호: 634-078-8

GRADE & PURITY Moligand™, ≥99%

Synonyms

CHEBI:34637 | (3R,4S)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amide | N-((3R,4S)-6-Cyano-3-hydroxy-2,2-dimethylchroman-4-yl)-N-methylethanesulfonamide | N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Chromanol 293B is a selective blocker of the slow delayed rectifier K+ current (IKs) with IC50 of 1-10 μM and a weak inhibitor of KATP channel. Chromanol 293B also blocks the CFTR chloride current with an IC50 of 19 μM.

Purpose：

Chromanol 293B has been used in the inhibition of calcium and cyclic adenosine monophosphate (cAMP)-activated potassium channels in human epithelial cell lines. Chromanol 293B has been used in patch-clamp electrophysiology studies in cardiomyocytes.

Specifications

동의어

CHEBI:34637 | (3R,4S)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amide | N-((3R,4S)-6-Cyano-3-hydroxy-2,2-dimethylchroman-4-yl)-N-methylethanesulfonamide | N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-

사양 및 순도

Moligand™,≥99%

생화학 및 생리적 메커니즘

Blocker of the slow delayed rectifier K+ current via KCNQ1 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 v7.1

순수함

≥99%

이름과 식별자

• 정식 스마일: CCS(=O)(=O)N(C)C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O
• IUPAC Name: N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
• InChIKey: HVSJHHXUORMCGK-UONOGXRCSA-N
• INCHI: 1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1
• 이성체 SMILES: CCS(=O)(=O)N(C)[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O
• WGK 독일: 3
• 분자량: 324.39
• Reaxy-Rn: 8992305
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8992305&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,2-dimethyl-1-benzopyrans
• Alternative Parents: Alkyl aryl ethers Organosulfonamides Organic sulfonamides Benzenoids Aminosulfonyl compounds Secondary alcohols Oxacyclic compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary alcohol - Ether - Carbonitrile - Nitrile - Oxacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
• External Descriptors: 1-benzopyran

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)

KCNQ1 Tclin Potassium voltage-gated channel subfamily KQT member 1 (0 Activities)

Discover Target: KCNQ1

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

KCNQ1 Tclin Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) (185 Activities)

Discover Target: KCNQ1

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

관련 대상(비인간)

KCNQ1 Voltage-gated potassium channel subunit Kv7.1 (54 Activities)

Discover Target: KCNQ1

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

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:ethanol, Max Conc. mg/mL: 6.49, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 32.44, Max Conc. mM: 100
• 감도: Moisture sensitive
• 분자량: 324.400 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 324.114 Da
• Monoisotopic Mass: 324.114 Da
• Topological Polar Surface Area: 99.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 560.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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