AZD2927 - Moligand™ , Channel blocker of K ir3.1;Channel blocker of K ir3.4, CAS No.A607862, Channel blocker of K ir3.1;Channel blocker of K ir3.4

CAS: A607862 Cat. No.: A607862 PubChem CID: 57345449

GRADE & PURITY Moligand™

Synonyms

GTPL7704 | SCHEMBL9106608 | AZD 2927 | 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide | MS-24474 | Benzamide, 4-fluoro-N-[(1S)-1-[(3-hydroxy-1-azetidinyl)methyl]-2-methylpropyl]-N,3-dimethyl- | AZD 2927 [WHO-DD] | CC

Storage

Room temperature

Specifications

동의어

GTPL7704 | SCHEMBL9106608 | AZD 2927 | 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide | MS-24474 | Benzamide, 4-fluoro-N-[(1S)-1-[(3-hydroxy-1-azetidinyl)methyl]-2-methylpropyl]-N,3-dimethyl- | AZD 2927 [WHO-DD] | CC

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

CHANNEL BLOCKER

작동 메커니즘

Channel blocker of K ir3.1;Channel blocker of K ir3.4

이름과 식별자

• 정식 스마일: OC1CN(C1)C[C@@H](N(C(=O)c1ccc(c(c1)C)F)C)C(C)C
• IUPAC Name: 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
• InChIKey: GAHPWXLXWUVMIV-MRXNPFEDSA-N
• INCHI: 1S/C17H25FN2O2/c1-11(2)16(10-20-8-14(21)9-20)19(4)17(22)13-5-6-15(18)12(3)7-13/h5-7,11,14,16,21H,8-10H2,1-4H3/t16-/m1/s1
• 이성체 SMILES: CC1=C(C=CC(=C1)C(=O)N(C)[C@H](CN2CC(C2)O)C(C)C)F
• PubChem CID: 57345449

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Toluamides
          • Level6 m-Toluamides
            • Level7 N,N-dialkyl-m-toluamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Toluamides - m-Toluamides
• Direct Parent: N,N-dialkyl-m-toluamides
• Alternative Parents: 4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Trialkylamines Secondary alcohols Azetidines Amino acids and derivatives 1,2-aminoalcohols Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N,n-dialkyl-m-toluamide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Amino acid or derivatives - Azetidine - 1,2-aminoalcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n,n-dialkyl-m-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
• 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)

KCNJ3 Tchem G protein-activated inward rectifier potassium channel 1 (1 Activities)

Discover Target: KCNJ3

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

KCNJ5 Tchem G protein-activated inward rectifier potassium channel 4 (1 Activities)

Discover Target: KCNJ5

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

화학 및 물리적 특성

• 분자량: 308.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 308.19 Da
• Monoisotopic Mass: 308.19 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 385.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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 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 A607862. InChIKey GAHPWXLXWUVMIV-MRXNPFEDSA-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.