6960-45-8 Usage
Chemical Properties
brown powder
Uses
7-Nitro-1H-indole-2-carboxylic Acid is a potent and selective APE1 inhibitor, which at low micromolar concentrations inhibits the AP endonuclease, 3''-phosphodiesterase and 3''-phosphatase activities of APE1 .
Biological Activity
crt0044876 is a potent and selective inhibitor of ape1 with ic50 value of 3.06 μm [1].apurinic/apyrimidinic endonuclease-1 (ape1) is a member of the highly conserved exonucleaseiii family of ap endonucleases and plays an important role in dna repair. ape1 exhibits 3’-phosphodiesterase activity and weak 3’-phosphatase activity, 3’-5’-exonuclease activity and rnaseh activity [1].crt0044876 is a potent and selective ape1 inhibitor. in hela whole cell extract, crt0044876 inhibited apurinic/apyrimidinic (ap) site cleavage catalyzed by ape1. crt0044876 inhibited both the ap endonuclease and exonuclease activities of exonuclease iii, the bacterial homologue of ape1. crt0044876 inhibited the 3’-phosphoglycolate diesterase activity of ape1 with ic50 value of 5 μm and also inhibited 3’-phosphatase activity through binding to dna repair active site of ape1. in ht1080 fibrosarcoma cells, crt0044876 significantly increased ap site accumulation and was non-toxic at concentrations up to 400 μm. also, crt0044876 potentiated the cytotoxicity induced by alkylating agent mms, temozolomide, hydrogen peroxide and hmdurd through specific inhibition of the base excision repair (ber) pathway [1].
references
[1]. madhusudan s, smart f, shrimpton p, et al. isolation of a small molecule inhibitor of dna base excision repair. nucleic acids res, 2005, 33(15): 4711-4724.
Check Digit Verification of cas no
The CAS Registry Mumber 6960-45-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,6 and 0 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 6960-45:
(6*6)+(5*9)+(4*6)+(3*0)+(2*4)+(1*5)=118
118 % 10 = 8
So 6960-45-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)/p-1
6960-45-8Relevant articles and documents
Discovery of Potent Succinate-Ubiquinone Oxidoreductase Inhibitors via Pharmacophore-linked Fragment Virtual Screening Approach
Xiong, Li,Zhu, Xiao-Lei,Gao, Hua-Wei,Fu, Yu,Hu, Sheng-Quan,Jiang, Li-Na,Yang, Wen-Chao,Yang, Guang-Fu
, p. 4830 - 4837 (2016/07/06)
Succinate-ubiquinone oxidoreductase (SQR) is an attractive target for fungicide discovery. Herein, we report the discovery of novel SQR inhibitors using a pharmacophore-linked fragment virtual screening approach, a new drug design method developed in our laboratory. Among newly designed compounds, compound 9s was identified as the most potent inhibitor with a Ki value of 34 nM against porcine SQR, displaying approximately 10-fold higher potency than that of the commercial control penthiopyrad. Further inhibitory kinetics studies revealed that compound 9s is a noncompetitive inhibitor with respect to the substrate cytochrome c and DCIP. Interestingly, compounds 8a, 9h, 9j, and 9k exhibited good in vivo preventive effects against Rhizoctonia solani. The results obtained from molecular modeling showed that the orientation of the R2 group had a significant effect on binding with the protein.
INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS
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Page/Page column 27, (2010/08/22)
The present invention relates to new indole compounds, pharmaceutically acceptable salts or isomers thereof which are useful for the prevention or treatment of cellular necrosis and necrosis-associated diseases. The present invention also relates to a method and a composition for the prevention or treatment of cellular necrosis and necrosis-associated diseases, comprising said indole compounds as an active ingredient.
GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT
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Page/Page column 27, (2010/11/03)
The present invention relates to new compounds of formula (1) exhibiting excellent activity for glucokinase, and pharmaceutical compositions comprising the same as an active ingredient.
