18213-77-9 Usage
General Description
1-Methyl-5-nitro-1H-pyrazole-4-carboxylic acid is a chemical compound with the molecular formula C6H6N4O4. It is a nitro-substituted pyrazole derivative with a carboxylic acid group. 1-METHYL-5-NITRO-1H-PYRAZOLE-4-CARBOXYLIC ACID is used in the synthesis of various pharmaceuticals and agrochemicals, and it exhibits potential antimicrobial and anti-inflammatory activities. It can also be used as a building block in the preparation of new chemical entities for various biological activities. Additionally, it has been studied for its potential use in the treatment of certain medical conditions, including bacterial infections.
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 articles and documents
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.
