Ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate | CAS No. 211915-84-3

Ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate

Basic Information

CAS Number

211915-84-3

Molecular Formula

C27H26N6O3

Molecular Weight

482.5 g/mol

AD

Basic Physical Properties

Boiling Point

756.382°C at 760 mmHg

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H26N6O3/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21/h4-12,14,16,30H,3,13,15,18H2,1-2H3

InChIKey

OZBOESGNDSVMDK-UHFFFAOYSA-N

LogP

4.12508

Complexity

792

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • Ethyl3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
  • OZBOESGNDSVMDK-UHFFFAOYSA-N
  • 1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide
  • FT-0687614
  • AC-7905
  • A4584
  • Deacetamidine cyano dabigatran ethyl ester
  • DeacetamidineCyanoDabigatran-d3EthylEster
  • Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
  • Ethyl 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionate
  • Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido
  • Dabigatran impurity I
  • CS-M2456
  • MFCD09833627
  • 211915-84-3
  • Dabigatran Intermediate 3
  • Q-102528
  • BCP27981
  • AMY4165
  • AKOS015891389
  • Ethyl 3-[[2-[(4-Cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate
  • ethyl 3-{[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl](pyridin-2-yl)amino}propanoate
  • 3-({2-[(4-cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl]pyridin-2-ylamino)propion
  • DS-18531
  • 3-[[[2-[[(4-CYANOPHENYL)AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]CARBONYL]PYRIDIN-2-YLAMINO]PROPIONIC ACID ETHYL ESTER
  • DTXSID90469667
  • InChI=1/C27H26N6O3/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21/h4-12,14,16,30H,3,13,15,18H2,1-2H3
  • SCHEMBL505917
  • Ethyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
  • ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
  • ?-Alanine, N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester; 1-Methyl-2-[((4-cyanophenyl)amino)methyl]-benzimidazole-5-carboxamide N-(2-pyridyl)-N-(2-(ethoxycarbonyl)ethyl); Deacetamidine Cyano Dabigatran Ethyl Ester

MDL Number

MFCD09833627

FAQ

What is Ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-84-3)?

Ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate is a synthetic organic compound with the CAS number 211915-84-3. It belongs to the class of beta-alanine derivatives and contains a benzimidazole ring with substituents including a 4-cyanophenyl group and a 2-pyridinyl group. This compound is known for its potential applications in pharmaceutical research, particularly in the development of drugs targeting specific biological pathways.

What are the main uses of Ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-84-3)?

Ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-84-3) is primarily used in pharmaceutical research for its potential as a therapeutic agent. It may serve as a precursor in the synthesis of drugs for treating conditions related to inflammation, cancer, or neurodegenerative diseases. Additionally, it is used in chemical research for studying molecular interactions and as a building block in the development of new compounds.

Is Ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-84-3) safe?

Ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-84-3) is generally considered safe when handled properly in controlled laboratory settings. However, as with many organic compounds, it requires caution during handling. Safety measures include wearing protective gloves, goggles, and lab coats, and working in a well-ventilated area. It is important to follow standard chemical safety protocols and consult safety data sheets for detailed information.

How should Ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-84-3) be stored?

Ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-84-3) should be stored in a cool, dry, and dark place to maintain stability. It is recommended to keep it in a sealed container, away from moisture and direct sunlight. Storage at temperatures below 25°C is ideal, and it should be kept in a well-ventilated area to prevent any potential chemical reactions or degradation.

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