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1269802-68-7

1269802-68-7 Structure

1269802-68-7 Structure
IdentificationBack Directory
[Name]

1-Hydroxy-6-phenyl-4-trifluoroMethyl-1H-indole-2-carboxylic acid
[CAS]

1269802-68-7
[Synonyms]

LDHA-IN-1
KGXDBNBXAPVUIM-UHFFFAOYSA-N
1-Hydroxy-6-phenyl-4-trifluoroMethyl-1H-indole-2-carboxylic acid
1-hydroxy-4-(trifluoromethyl)-6-phenyl-1H-indole-2-carboxylic acid
1H-Indole-2-carboxylic acid, 1-hydroxy-6-phenyl-4-(trifluoromethyl)-
[Molecular Formula]

C16H10F3NO3
[MDL Number]

MFCD20257232
[MOL File]

1269802-68-7.mol
[Molecular Weight]

321.25
Chemical PropertiesBack Directory
[Boiling point ]

556.2±60.0 °C(Predicted)
[density ]

1.45±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: 100mg/mL
[form ]

solid
[pka]

2.88±0.30(Predicted)
[color ]

off-white
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

A cell-permeable, non-cytotoxic N-hydroxyindole (NHI) carboxylate that acts as a potent, reversible, and isoform selective inhibitor of lactic dehydrogenase (LDH) A/LDH-1. Inhibition appears to be competitive with respect to both pyruvate (Ki = 4.7 μM) and NADH (cofactor; Ki = 8.9 μM). Acts by occupying the whole substrate pocket and part of the cofactor pocket of LDH-A. Blocks the growth of various cancer cell lines by causing an arrest at G1 phase and inducing apoptosis (IC50 = 10.8, 10.6, 11.4, and 31.5 μM for A2780/cOHP, MSTO-211H, NIH-H28, and H630 cells, respectively). Exhibits enhanced anticancer activity under hypoxic conditions (GI50 = 0.90 μM/hypoxia vs. 16.3 μM/normoxia in LPC006 cultures) and strongly synergizes with gemcitabine.Please note that the molecular weight for this compound is batch-specific due to variable water content. Please refer to the vial label or the certificate of analysis for the batch-specific molecular weight. The molecular weight provided represents the baseline molecular weight without water.
[Biological Activity]

Cell permeable: yes''Primary Target
LDH-A/LDH-1''Target IC50: 10.810.611.4and 31.5 µ
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