VU0529331 - ≥99% , CAS No.1286725-49-2

CAS: 1286725-49-2 Cat. No.: V647385 분자식: C₂₂H₂₀N₆O 분자량: 384.43 PubChem CID: 52417637

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

VU0529331 is a modestly selective non-GIRK1-containing G protein-gated, inwardly-rectifying, potassium channel ( non-GIRK1/X ) activator, with EC 50 s of 5.1 µM and 5.2 µM for GIRK2 and GIRK1/2 in HEK293 cells, respectively, also effective on GIRK4 homomeric channel

Form:Solid

IC50& Target:EC50: 5.1 µM (GIRK2), 5.2 µM (GIRK1/2)

Specifications

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

VU0529331 is a modestly selective non-GIRK1-containing G protein-gated, inwardly-rectifying, potassium channel ( non-GIRK1/X ) activator, with EC 50 s of 5.1 µM and 5.2 µM for GIRK2 and GIRK1/2 in HEK293 cells, respectively, also effective on GIRK4 homome

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

• 정식 스마일: CC1=C(C=C(C=C1)N2C(=C3CN(CC3=N2)C(=O)C4=NC=CN=C4)N5C=CC=C5)C
• IUPAC Name: [2-(3,4-dimethylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone
• InChIKey: KKICJSSCAYMJOA-UHFFFAOYSA-N
• INCHI: 1S/C22H20N6O/c1-15-5-6-17(11-16(15)2)28-21(26-9-3-4-10-26)18-13-27(14-20(18)25-28)22(29)19-12-23-7-8-24-19/h3-12H,13-14H2,1-2H3
• 이성체 SMILES: CC1=C(C=C(C=C1)N2C(=C3CN(CC3=N2)C(=O)C4=NC=CN=C4)N5C=CC=C5)C
• PubChem CID: 52417637
• 분자량: 384.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Pyrazinecarboxamides o-Xylenes Pyrrolopyrazoles 2-heteroaryl carboxamides Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Pyrrolopyrazole - Xylene - O-xylene - Pyrazine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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

화학 및 물리적 특성

• 용해성: DMSO : 5 mg/mL (13.01 mM; Need ultrasonic and warming)
• 분자량: 384.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 384.17 Da
• Monoisotopic Mass: 384.17 Da
• Topological Polar Surface Area: 68.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 596.000
• 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