18213-77-9 Usage
Uses
Used in Pharmaceutical Synthesis:
1-METHYL-5-NITRO-1H-PYRAZOLE-4-CARBOXYLIC ACID is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new chemical entities with diverse biological activities.
Used in Agrochemical Synthesis:
In the agrochemical industry, 1-METHYL-5-NITRO-1H-PYRAZOLE-4-CARBOXYLIC ACID is utilized as a building block for the creation of new agrochemicals, potentially enhancing crop protection and management strategies.
Used in Antimicrobial Applications:
1-METHYL-5-NITRO-1H-PYRAZOLE-4-CARBOXYLIC ACID is employed as an antimicrobial agent, exhibiting potential activity against various types of bacteria, making it a candidate for the development of new antibiotics or antimicrobial agents.
Used in Anti-inflammatory Applications:
Due to its potential anti-inflammatory properties, 1-METHYL-5-NITRO-1H-PYRAZOLE-4-CARBOXYLIC ACID is being explored for use in anti-inflammatory medications, which could help in managing inflammation-related conditions.
Used in Medical Treatment Research:
1-METHYL-5-NITRO-1H-PYRAZOLE-4-CARBOXYLIC ACID is used in research for its potential role in treating certain medical conditions, particularly those involving bacterial infections, as it may offer new avenues for therapeutic intervention.
Check Digit Verification of cas no
The CAS Registry Mumber 18213-77-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,2,1 and 3 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 18213-77:
(7*1)+(6*8)+(5*2)+(4*1)+(3*3)+(2*7)+(1*7)=99
99 % 10 = 9
So 18213-77-9 is a valid CAS Registry Number.
InChI:InChI=1/C5H5N3O4/c1-7-4(8(11)12)3(2-6-7)5(9)10/h2H,1H3,(H,9,10)
18213-77-9Relevant academic research and scientific papers
PF-04859989 as a template for structure-based drug design: Identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency
Dounay, Amy B.,Anderson, Marie,Bechle, Bruce M.,Evrard, Edelweiss,Gan, Xinmin,Kim, Ji-Young,McAllister, Laura A.,Pandit, Jayvardhan,Rong, Suobao,Salafia, Michelle A.,Tuttle, Jamison B.,Zawadzke, Laura E.,Verhoest, Patrick R.
, p. 1961 - 1966 (2013/04/23)
The structure-based design, synthesis, and biological evaluation of a new pyrazole series of irreversible KAT II inhibitors are described herein. The modification of the inhibitor scaffold of 1 and 2 from a dihydroquinolinone core to a tetrahydropyrazolopyridinone core led to discovery of a new series of potent KAT II inhibitors with excellent physicochemical properties. Compound 20 is the most potent and lipophilically efficient of these new pyrazole analogs, with a kinact/Ki value of 112,000 M-1 s -1 and lipophilic efficiency (LipE) of 8.53. The X-ray crystal structure of 20 with KAT II demonstrates key features that contribute to this remarkable potency and binding efficiency.
