AM 2394 - ≥98%(HPLC) , CAS No.1442684-77-6

CAS: 1442684-77-6 Cat. No.: A288847 분자식: C₂₂H₂₅N₅O₄ 분자량: 423.47

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-[6'-(2-Hydroxy-2-methylpropoxy)-4-[(5-methyl-3-pyridinyl)oxy][3,3'-bipyridin]-6-yl]-N'-methylurea | AM-2394 | AM2394

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

N-[6'-(2-Hydroxy-2-methylpropoxy)-4-[(5-methyl-3-pyridinyl)oxy][3,3'-bipyridin]-6-yl]-N'-methylurea | AM-2394 | AM2394

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

Potent glucokinase activator (EC50= 60 nM). Orally bioavailable. Reduces plasma glucose levels in an oral glucose tolerance test inob/obmice.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

ACTIVATOR

순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 528763080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528763080
• 정식 스마일: CC1=CC(=CN=C1)OC2=CC(=NC=C2C3=CN=C(C=C3)OCC(C)(C)O)NC(=O)NC
• IUPAC Name: 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyridin-3-yl]-4-(5-methylpyridin-3-yl)oxypyridin-2-yl]-3-methylurea
• InChIKey: QUISANLDBDCMPD-UHFFFAOYSA-N
• INCHI: 1S/C22H25N5O4/c1-14-7-16(11-24-9-14)31-18-8-19(27-21(28)23-4)25-12-17(18)15-5-6-20(26-10-15)30-13-22(2,3)29/h5-12,29H,13H2,1-4H3,(H2,23,25,27,28)
• 이성체 SMILES: CC1=CC(=CN=C1)OC2=CC(=NC=C2C3=CN=C(C=C3)OCC(C)(C)O)NC(=O)NC
• 분자량: 423.47
• Reaxy-Rn: 29673870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29673870&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Diarylethers Methylpyridines Alkyl aryl ethers Imidolactams Tertiary alcohols Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Diaryl ether - Alkyl aryl ether - Methylpyridine - Imidolactam - Tertiary alcohol - Heteroaromatic compound - Urea - Ether - Azacycle - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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(비인간)

Gck Hexokinase type IV (278 Activities)

Discover Target: Gck

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: 42.35, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.23, Max Conc. mM: 10 with gentle warming
• 분자량: 423.500 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 423.191 Da
• Monoisotopic Mass: 423.191 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 578.000
• 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