n-(2-(4-(n-(hexyloxycarbonyl)amidino)phenylaminomethyl)-1-methyl-1h-benzimidazol-5-ylcarbonyl)-n-(2-pyridyl)-beta-alanine ethyl ester
N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine
CAS: 211914-51-1
Molecular Formula: C25H25N7O3
n-(2-(4-(n-(hexyloxycarbonyl)amidino)phenylaminomethyl)-1-methyl-1h-benzimidazol-5-ylcarbonyl)-n-(2-pyridyl)-beta-alanine ethyl ester - Names and Identifiers
n-(2-(4-(n-(hexyloxycarbonyl)amidino)phenylaminomethyl)-1-methyl-1h-benzimidazol-5-ylcarbonyl)-n-(2-pyridyl)-beta-alanine ethyl ester - Physico-chemical Properties
| Molecular Formula | C25H25N7O3 |
| Molar Mass | 471.51 |
| Density | 1.38±0.1 g/cm3(Predicted) |
| Melting Point | 268-272°C |
| Boling Point | 797.1±70.0 °C(Predicted) |
| Flash Point | 435.9°C |
| Solubility | Aqueous Acid |
| Vapor Presure | 8.45E-27mmHg at 25°C |
| Appearance | Solid |
| Color | White to Brown |
| pKa | 4.17±0.10(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Refractive Index | 1.694 |
| Use | Dabigatran (BIBR 953) is an effective non-peptide thrombin inhibitor with IC50 of 9.3 nM. |
| In vitro study | BIBR 953 is a very effective anticoagulant. The BIBR 953 shows that its terminal phenyl group can be replaced by a more hydrophilic 2-pyridyl group without excessive loss of activity. BIBR 953 inhibit thrombin, plasmin, coagulation factor Xa, trypsin, tPA and activated protein C,Ki by 4.5 nM,1.7 μm, 3.8 μm, 50 nM, respectively, 45 M and 20 M. BIBR 953 specific reversible inhibition of thrombin. |
| In vivo study | BIBR953 showed the most potent activity after I. v. Administration to rats. After oral administration of Dabigatran etexilate, the bioavailability of dabigatran was 7.2%. Dabigatran is excreted mainly through feces after oral treatment and mainly through urine after intravenous injection. The average terminal half-life of Dabigatran is approximately 8 hours. After oral and intravenous administration, Dabigatran acylglucuronides accounted for 0.4 and 4%, respectively. |
n-(2-(4-(n-(hexyloxycarbonyl)amidino)phenylaminomethyl)-1-methyl-1h-benzimidazol-5-ylcarbonyl)-n-(2-pyridyl)-beta-alanine ethyl ester - Reference
| Reference Show more | 1. Yuan Dongdong, Wang Yalei, Zhang Hanjuan, Wang Gaobiao, Guo Liping, Koyu. Determination of plasma drug concentration of rivaroxaban in patients with primary Han atrial fibrillation by LC-MS/MS [J]. Journal of Drug Analysis, 2020,40(08):1399-1404. 2. [IF = 6.057] Ghazala Ashraf et al."Extension of duplex specific nuclease sensing application with RNA aptamer." Talanta. 2022 May;242:123314 |
n-(2-(4-(n-(hexyloxycarbonyl)amidino)phenylaminomethyl)-1-methyl-1h-benzimidazol-5-ylcarbonyl)-n-(2-pyridyl)-beta-alanine ethyl ester - Preparation solution concentration reference
| 1mg | 5mg | 10mg | |
|---|---|---|---|
| 1 mM | 2.121 ml | 10.604 ml | 21.208 ml |
| 5 mM | 0.424 ml | 2.121 ml | 4.242 ml |
| 10 mM | 0.212 ml | 1.06 ml | 2.121 ml |
| 5 mM | 0.042 ml | 0.212 ml | 0.424 ml |
Last Update：2024-01-02 23:10:35
n-(2-(4-(n-(hexyloxycarbonyl)amidino)phenylaminomethyl)-1-methyl-1h-benzimidazol-5-ylcarbonyl)-n-(2-pyridyl)-beta-alanine ethyl ester - Reference Information
| Anticoagulant drugs | dabidagatran is another new oral anticoagulant approved by the U.S. Food and Drug Administration after warfarin to prevent stroke and embolism in patients with non-valvular atrial fibrillation. It is a non-peptide thrombin inhibitor. It is a major progress in the field of anticoagulant therapy and the prevention of potentially fatal thrombosis, and is a milestone. After oral administration and gastrointestinal absorption, the fibrin-specific binding site bound to thrombin prevents the cleavage of fibrinogen into fibrin, thereby blocking the final step of the clotting waterfall network and thrombosis. Dabugatran can also be dissociated from the fibrin-thrombin conjugate to play a reversible anticoagulant effect. |
| biological activity | Dabigatran (BIBR 953) is an effective non-peptide thrombin inhibitor, and IC50 is 9.3 nM in cell-free test. |
| Target | Value |
| Thrombin (Cell-free assay) | 9.3 nM |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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Product Name: Dabigatran Visit Supplier Webpage Request for quotationCAS: 211914-51-1
Tel: 0714-3999186
Email: 2853786052@qq.com
Mobile: 86+15671228036
QQ: 2853786052
Wechat: 15671228036
Spot supply
Product Name: Dabigatran (BIBR 953) Visit Supplier Webpage Request for quotationCAS: 211914-51-1
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
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