Cas no 211915-84-3 (Deacetamidine Cyano Dabigatran Ethyl Ester)
Deacetamidine Cyano Dabigatran Ethyl Ester Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
- Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido
- Dabigatran Intermediate 3
- Ethyl 3-(2-((4-cyanophenylaMino)Methyl)-1-Methyl-N-(pyridin-2-yl)-1H-benzo[d]iMi
- Ethyl 3-(2-((4-cyanophenylaMino)Methyl)-1-Methyl-N-(pyridin-2-yl)-
- 3-[[[2-[[(4-Cyanophenyl)aMino]Methyl]-1-Methyl-1H-benziMidazol-5-yl]carbonyl]pyridin-2-ylaMino]propi
- Ethyl 3-[[[2-[[(4-Cyanophenyl)aMino]Methyl]-1-Methyl-1H-benziMidazol-5-yl]carbonyl]pyridin-2-ylaMino] propionate
- Deacetamidine Cyano Dabigatran Ethyl Ester
- 3-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester
- 3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
- 3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
- DB-6
- ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
- ethyl N-[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate
- N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridi nyl-β-alanine, ethyl ester
- 1-methyl-2-[N-(4-cyanophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)-amide
- 1-methyl-2-<2-methylthio-2-(4-methyl-1-piperazino)vinyl>-quinolinium iodide
- 3-({2-[(4-cyano-phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-ylamino)propionic acid ethyl ester
- ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
- C27H28N6O3
- OZBOESGNDSV
- CID 11627749
- 3-({2-[(4-Cyano-phenylamino)-
- Ethyl 3-[[2-[(4-Cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate
- AMY4165
- CS-M2456
- MFCD09833627
- 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
- 211915-84-3
- ethyl 3-{[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl](pyridin-2-yl)amino}propanoate
- AKOS015891389
- 3-[[[2-[[(4-cyanophenyl) amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
- OZBOESGNDSVMDK-UHFFFAOYSA-
- 3-((2-(((4-cyanophenyl)aminomethyl)-1-methyl-1h-benzimidazol-5-yl)carbonyl)pyridin-2-ylamino)propionic acid ethyl ester
- A4584
- Dabigatran impurity I
- FT-0687614
- BCP27981
- Ethyl 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionate
- 3-({2-[(4-cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl]pyridin-2-ylamino)propion
- C27H26N6O3
- 1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide
- AC-7905
- Ethyl3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)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
- DTXSID90469667
- SCHEMBL505917
- 3-[[[2-[[(4-Cyanophenyl) amino]methyl] -1-methyl- 1H- benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
- DS-18531
- Ethyl N-{2-[(4-cyanoanilino)methyl]-1-methyl-1H-benzimidazole-5-carbonyl}-N-pyridin-2-yl-beta-alaninate
- Q-102528
- DeacetamidineCyanoDabigatran-d3EthylEster
- OZBOESGNDSVMDK-UHFFFAOYSA-N
- B24J67PN4T
- ss-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
- DB-003914
-
- MDL： MFCD09833627
- 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
- InChI Key： OZBOESGNDSVMDK-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC2=C(C=1)N=C(CNC1C=CC(C#N)=CC=1)N2C)N(C1C=CC=CN=1)CCC(=O)OCC
Computed Properties
- Exact Mass: 482.20700
- Monoisotopic Mass: 482.20663871g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 36
- Rotatable Bond Count: 10
- Complexity: 792
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 113
Experimental Properties
- Color/Form: Powder
- Boiling Point: 756.382°C at 760 mmHg
- PSA: 113.14000
- LogP: 4.12508
Deacetamidine Cyano Dabigatran Ethyl Ester Security Information
- Signal Word：Warning
- Hazard Statement： H302
- Warning Statement： P280-P305+P351+P338
- Storage Condition：Keep in dark place,Inert atmosphere,Room temperature
Deacetamidine Cyano Dabigatran Ethyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E192029-10g |
Deacetamidine Cyano Dabigatran Ethyl Ester |
211915-84-3 | 98% | 10g |
￥177.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E192029-1g |
Deacetamidine Cyano Dabigatran Ethyl Ester |
211915-84-3 | 98% | 1g |
￥35.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E192029-25g |
Deacetamidine Cyano Dabigatran Ethyl Ester |
211915-84-3 | 98% | 25g |
￥428.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E192029-5g |
Deacetamidine Cyano Dabigatran Ethyl Ester |
211915-84-3 | 98% | 5g |
￥111.90 | 2023-09-03 | |
| Alichem | A029182446-25g |
Ethyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate |
211915-84-3 | 95% | 25g |
$231.00 | 2023-09-02 | |
| Chemenu | CM156967-10g |
Ethyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate |
211915-84-3 | 95% | 10g |
$112 | 2021-08-05 | |
| Chemenu | CM156967-25g |
Ethyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate |
211915-84-3 | 95% | 25g |
$206 | 2021-08-05 | |
| ChemScence | CS-M2456-10g |
β-Alanine, N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester |
211915-84-3 | 99.24% | 10g |
$76.0 | 2021-09-02 | |
| ChemScence | CS-M2456-25g |
β-Alanine, N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester |
211915-84-3 | 99.82% | 25g |
$69.0 | 2022-04-27 | |
| Matrix Scientific | 090962-5g |
Ethyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate, 95+% |
211915-84-3 | 95+% | 5g |
$68.00 | 2023-09-08 |
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Deacetamidine Cyano Dabigatran Ethyl Ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
Additional information on Deacetamidine Cyano Dabigatran Ethyl Ester
Introduction to Deacetamidine Cyano Dabigatran Ethyl Ester (CAS No. 211915-84-3)
Deacetamidine Cyano Dabigatran Ethyl Ester, a compound with the chemical identifier CAS No. 211915-84-3, represents a significant advancement in the field of pharmaceutical chemistry. This compound has garnered considerable attention due to its unique structural properties and potential therapeutic applications. The synthesis and characterization of this molecule have been subjects of extensive research, particularly in the context of developing novel anticoagulants and related bioactive molecules.
The molecular structure of Deacetamidine Cyano Dabigatran Ethyl Ester incorporates several key functional groups that contribute to its pharmacological activity. Specifically, the presence of a cyano group and an ester moiety in its backbone enhances its reactivity and binding affinity to biological targets. These features have been extensively studied in recent years, leading to a deeper understanding of its mechanism of action and potential applications in medicine.
In recent years, there has been a surge in research focused on developing next-generation anticoagulants that offer improved efficacy and safety profiles compared to traditional agents like warfarin. Deacetamidine Cyano Dabigatran Ethyl Ester has emerged as a promising candidate in this domain. Its unique chemical properties make it an attractive scaffold for further derivatization and optimization, potentially leading to new drugs that address unmet medical needs.
The compound's potential applications extend beyond anticoagulation therapy. Preliminary studies suggest that it may exhibit inhibitory effects on certain enzymes and receptors, making it a versatile tool for exploring new therapeutic avenues. For instance, its interaction with specific proteases has been implicated in its ability to modulate blood clotting processes, which is crucial for preventing thromboembolic events.
The synthesis of Deacetamidine Cyano Dabigatran Ethyl Ester involves a multi-step process that requires precise control over reaction conditions and reagent selection. Advanced synthetic methodologies have been employed to ensure high yields and purity, which are essential for pharmaceutical applications. Techniques such as catalytic hydrogenation, nucleophilic substitution, and protecting group chemistry have played pivotal roles in the construction of this complex molecule.
One of the most intriguing aspects of Deacetamidine Cyano Dabigatran Ethyl Ester is its potential for structural modification. Researchers have explored various derivatives by introducing different functional groups or altering the core scaffold. These modifications have not only enhanced our understanding of the compound's pharmacophore but also paved the way for developing more potent and selective analogs.
The pharmacokinetic properties of Deacetamidine Cyano Dabigatran Ethyl Ester have also been subjects of intense investigation. Studies have shown that it exhibits favorable absorption, distribution, metabolism, and excretion (ADME) profiles when tested in preclinical models. These findings are crucial for assessing its suitability for clinical translation and ensuring optimal therapeutic outcomes.
Recent advances in computational chemistry have further accelerated the development process for this compound. Molecular modeling techniques have been used to predict binding affinities and interactions with biological targets, providing valuable insights into its mechanism of action. These computational approaches complement experimental studies, enabling researchers to design more effective derivatives with minimal trial-and-error experimentation.
The regulatory landscape for novel pharmaceutical compounds like Deacetamidine Cyano Dabigatran Ethyl Ester is stringent but well-defined. Regulatory agencies require comprehensive data on safety, efficacy, and quality before approving such drugs for clinical use. The ongoing research efforts are aimed at generating robust datasets that meet these regulatory standards, ensuring that patients can benefit from this promising therapeutic agent.
In conclusion, Deacetamidine Cyano Dabigatran Ethyl Ester (CAS No. 211915-84-3) represents a significant advancement in pharmaceutical chemistry with potential applications in anticoagulation therapy and beyond. Its unique structural features, synthetic accessibility, and favorable pharmacokinetic properties make it an attractive candidate for further development. As research continues to uncover new insights into its mechanisms of action and potential therapeutic benefits, this compound is poised to play a crucial role in addressing unmet medical needs.
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