Galloflavin - 2mM in DMSO , CAS No.568-80-9

CAS: 568-80-9 Cat. No.: G424805 분자식: C₁₂H₆O₈ 분자량: 278.17 EC 번호: 806-015-6

GRADE & PURITY 2mM in DMSO

Synonyms

MLS000737267 | 6,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,3-dione | FD10492 | DTXSID80205354 | 3,8,9,10-tetrahydroxypyrano[3,2-c][2]benzopyran-2,6-dione | Pyrano[3,2-c][2]benzopyran-2,6-dione, 3,8,9,10-tetrahydroxy- | Z104473380 | AKOS027326692 | Gal

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Galloflavin inhibits both the A and B isoforms of lactate dehydrogenase with Ki of 5.46 μM and 15.06 μM, respectively. Galloflavin is also a potential anticancer agent.

Specifications

동의어

MLS000737267 | 6,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,3-dione | FD10492 | DTXSID80205354 | 3,8,9,10-tetrahydroxypyrano[3,2-c][2]benzopyran-2,6-dione | Pyrano[3,2-c][2]benzopyran-2,6-dione, 3,8,9,10-tetrahydroxy- | Z104473380 | AKOS027326692 | Gal

사양 및 순도

2mM in DMSO

생화학 및 생리적 메커니즘

Galloflavin is an inhibitor of lactate dehydrogenase (LDH). The compound blocks both isoforms of (LDH-A and -B) with Ki values of 5.5 and 15 mM, respectively. Inhibition of the glycolytic pathway by galloflavin induces oxidative stress and apoptosis in br

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

이름과 식별자

Pubchem Sid

528764734

정식 스마일

C1=C2C(=C3C(=CC(=C(O3)O)O)OC2=O)C(=C(C1=O)O)O

IUPAC Name

2,3,9,10-tetrahydroxypyrano[3,2-c]isochromene-6,8-dione

InChIKey

UXHISTVMLJLECY-UHFFFAOYSA-N

INCHI

1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,14-16,18H

이성체 SMILES

C1=C2C(=C3C(=CC(=C(O3)O)O)OC2=O)C(=C(C1=O)O)O

WGK 독일

3

분자량

278.17

Reaxy-Rn

36462593

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36462593&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Isocoumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Isocoumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocoumarins and derivatives
• Alternative Parents: 2-benzopyrans Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Lactones Cyclic ketones Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isocoumarin - 2-benzopyran - Benzopyran - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Cyclic ketone - Lactone - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
• 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

• 분자량: 278.170 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 278.006 Da
• Monoisotopic Mass: 278.006 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 729.000
• 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