Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate | CAS No. 872728-85-3

Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate

Basic Information

CAS Number

872728-85-3

Molecular Formula

C34H37N7O6S

Molecular Weight

671.78 g/mol

AD

Basic Physical Properties

O=C(OCC)CCN(C1=NC=CC=C1)C(C2=CC=C3N(C)C(CNC4=CC=C(C(N)=N)C=C4)=NC3=C2)=O.O=S(C5=CC=C(C)C=C5)(O)=O

InChI

InChI=1S/C27H29N7O3.C7H8O3S/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29;1-6-2-4-7(5-3-6)11(8,9)10/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29);2-5H,1H3,(H,8,9,10)

InChIKey

WENRCCRZLDFCGF-UHFFFAOYSA-N

LogP

4.706190000000003

Topological Polar Surface Area

193.58999999999997 Ų

Hydrogen Bond Donor/Acceptor

5 / 13

Complexity

994

Synonyms & References

English

  • n-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1h-benzimidazol-5-yl)arbonyl)-n-2-pyridinyl-beta-alanine ethyl ester 4-methylbenzenesulfonate
  • Dabigatran ethyl ester tosylate
  • N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]arbonyl]-N-2-pyridin
  • N-[[2-[[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]ARBONYL]-N-2-PYRIDINYL-BETA-ALANINE ETH...
  • N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]arbonyl]-N-2-pyridinyl-beta-alanine ethyl ester 4-methylbenzenesulfonate
  • 1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide para-toluene sulfonate
  • 1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazole-5-carboxylic acid N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide tosylate
  • ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate
  • Ethyl 3-(((2R,3S,4R)-1-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-1H-benzo[d]imidazol-5-yl)-2,3,4,5-tetrahydroxypentyl)(pyridin-2-yl)amino)propanoate 4
  • N-[[2-[[[4-(Aminoiminomethyl
  • β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, mono(4-methylbenzenesulfonate) (9CI)
  • 1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazole-5-carboxylic acid N-(2-pyridyl)-N-[2-(ethoxycarbonyl)ethyl]amide tosylate
  • N-[2-(Ethoxycarbonyl)ethyl]-N-(2-pyridyl)-1-methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazole-5-carboxamide tosylate

MDL Number

MFCD22572335

FAQ

What is Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate (CAS: 872728-85-3)?

Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate is a complex organic compound with a unique structure, used primarily in research and pharmaceutical applications. It is characterized by its carbamimidoyl and imidazole moieties.

What are the main uses of Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate (CAS: 872728-85-3)?

This compound is mainly used in research for studying various biological and chemical processes, and in pharmaceuticals for developing potential therapeutic agents. Its unique chemical structure makes it valuable for targeted drug discovery and development.

Is Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate (CAS: 872728-85-3) safe?

Safety of this compound is highly dependent on the conditions of use and exposure. It is generally safe when handled with proper precautions, such as wearing appropriate personal protective equipment (PPE) and avoiding inhalation or skin contact. Specific safety guidelines and controls should be followed to ensure safety during research and handling.

How should Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate (CAS: 872728-85-3) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. Proper containers, such as airtight, glass or metal containers, should be used to store the compound to prevent degradation. Temperature should be maintained below 25°C to ensure stability and safety. Humidity should also be kept at a low level to avoid moisture-related issues.

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