HMR 1556 - Moligand™, ≥98%(HPLC) , Channel blocker of K v7.1, CAS No.223749-46-0, Channel blocker of K v7.1

CAS: 223749-46-0 Cat. No.: H286704 분자식: C₁₇H₂₄F₃NO₅S 분자량: 411.44

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

(+)-HMR-1556 | (3R,4S)-(+)-N-(3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)chroman-4-yl)-N-methylmethanesulfonamide | NCGC00387222-01 | 4IF4R31066 | SCHEMBL4623436 | D85486 | Methanesulfonamide, N-((3R,4S)-3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(4,4,4-tr

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

(+)-HMR-1556 | (3R,4S)-(+)-N-(3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)chroman-4-yl)-N-methylmethanesulfonamide | NCGC00387222-01 | 4IF4R31066 | SCHEMBL4623436 | D85486 | Methanesulfonamide, N-((3R,4S)-3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(4,4,4-tr

사양 및 순도

Moligand™, ≥98%(HPLC)

생화학 및 생리적 메커니즘

Potent and selective Ikschannel blocker (IC50values are 10.5 and 34 nM in canine and guinea pig ventricular myocytes respectively). Selectively inhibits IKscurrents over IKr, IKI, Itoand L-type Ca2+channel currents. Also has little or no effect on Kv11.1

보관 조건

Room temperature

배송

Normal

등급

Moligand™

작업 유형

CHANNEL BLOCKER

작동 메커니즘

Channel blocker of K v7.1

순수함

≥98%(HPLC)

이름과 식별자

정식 스마일

CC1(C(C(C2=C(O1)C=CC(=C2)OCCCC(F)(F)F)N(C)S(=O)(=O)C)O)C

IUPAC Name

N-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)-3,4-dihydrochromen-4-yl]-N-methylmethanesulfonamide

InChIKey

SRZRLJWUQFIZRH-LSDHHAIUSA-N

INCHI

1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m0/s1

이성체 SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)OCCCC(F)(F)F)N(C)S(=O)(=O)C)O)C

분자량

411.44

Reaxy-Rn

9006043

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9006043&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: Phenol ethers Alkyl aryl ethers Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Secondary alcohols Oxacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,2-dimethyl-1-benzopyran - Phenol ether - Alkyl aryl ether - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Secondary alcohol - Ether - Oxacycle - Organic nitrogen compound - Organic oxide - Alcohol - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - 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: 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)

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

Discover Target: KCNQ1

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 41.14, Max Conc. mM: 100
• 분자량: 411.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 411.133 Da
• Monoisotopic Mass: 411.133 Da
• Topological Polar Surface Area: 84.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 605.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 223749-46-0, the molecular formula is C17H24F3NO5S, and the molecular weight is 411.44 g/mol. InChIKey SRZRLJWUQFIZRH-LSDHHAIUSA-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.