136285-67-1 Usage
Description
2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid ethyl ester, also known as Ethyl 2-[N-[(2''-Cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate, is a yellow crystalline solid with a complex chemical structure. It is a synthetic compound that serves as a crucial intermediate in the pharmaceutical industry, particularly in the synthesis of candesartan cilexitil, an angiotensin II receptor antagonist used to treat hypertension and heart failure.
Uses
Used in Pharmaceutical Industry:
2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid ethyl ester is used as a key intermediate in the synthesis of candesartan cilexitil for the treatment of hypertension and heart failure. Its role in the synthesis process is to provide a structural foundation for the development of the final drug product, which helps in managing blood pressure and improving heart function.
Used in Synthesis of Candesartan Cilexitil:
2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid ethyl ester is used as a reagent in the synthesis of candesartan cilexitil, an angiotensin II receptor antagonist. The compound plays a vital role in the chemical reactions that lead to the formation of the final drug, which is effective in treating high blood pressure and heart failure by blocking the action of angiotensin II, a hormone that narrows blood vessels and increases blood pressure.
Check Digit Verification of cas no
The CAS Registry Mumber 136285-67-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,6,2,8 and 5 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 136285-67:
(8*1)+(7*3)+(6*6)+(5*2)+(4*8)+(3*5)+(2*6)+(1*7)=141
141 % 10 = 1
So 136285-67-1 is a valid CAS Registry Number.
InChI:InChI=1/C23H19N3O4/c1-2-30-23(27)20-8-5-9-21(26(28)29)22(20)25-15-16-10-12-17(13-11-16)19-7-4-3-6-18(19)14-24/h3-13,25H,2,15H2,1H3
136285-67-1Relevant articles and documents
Synthesis, characterization of benzimidazole carboxamide derivatives as potent anaplastic lymphoma kinase inhibitor and antioxidant activity
Sam Daniel Prabu,Lakshmanan, Sivalingam,Ramalakshmi,Thirumurugan,Govindaraj, Dharman,Antony, S. Arul
, p. 266 - 278 (2019)
Novel benzimidazole carboxamide derivatives have been synthesized and characterized by FTIR, NMR, and mass spectral analysis. The synthesized compounds 7a, 7d, and 7f showed excellent scavenging capacity against DPPH radical and the results are comparable with ascorbic acid. In-silico molecular docking studies exhibited compounds 7a, 7d, and 7f had a good affinity towards the active pocket and the results indicated the ability of potent and selective inhibition of anaplastic lymphoma kinase (ALK) receptor. The theoretical investigation of MEPs, HOMO, LUMO, and the energy gap of HOMO-LUMO were calculated by B3LYP/6-31G method and reactivity descriptors were also computed.