CAS Number211915-06-9
SynonymsDabigatran etexilate; Pradaxa; PR sodium salt; Rendix; phenolsulfonphthalein sodium salt; Pradax; phenolsulphophthaleine sodium salt; phenolsulfonephthalein sodium; phenol red sodium salt; PHENOL RED,ACS; BIBR-1048
Molecular FormulaC34H41N7O5
Molecular Weight627.73
Purity≥98 (HPLC)%
Density1.2±0.1 g/cm3
Boiling Point827.9±75.0 °C at 760 mmHg
Melting Point128-129°
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 211915-06-9 |
| Catalog No. | 2A-9055524 |
| Chinese Name | 达比加群酯 |
| Synonyms | Dabigatran etexilate; Pradaxa; PR sodium salt; Rendix; phenolsulfonphthalein sodium salt; Pradax; phenolsulphophthaleine sodium salt; phenolsulfonephthalein sodium; phenol red sodium salt; PHENOL RED,ACS; BIBR-1048 |
| Molecular Formula | C34H41N7O5 |
| Molecular Weight | 627.73 |
| Purity | ≥98 (HPLC) |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 827.9±75.0 °C at 760 mmHg |
| Melting Point | 128-129° |
| Appearance | powder |
| Storage Condition | 2~8℃ |
| Application | Dabigatran etexilate (BIBR-1048) is an orally active dabigatran original drug and a reversible direct thrombin inhibitor (DTI) with a Ki of 4.5 nM. |
| HTC | 2933990090 |
| MDL Number | MFCD22422841 |
| SMILES | O=C(OCCCCCC)NC(C(C=C1)=CC=C1NCC2=NC3=CC(C(N(CCC(OCC)=O)C4=NC=CC=C4)=O)=CC=C3N2C)=N |
| InChI | 1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44) |
| InChI Key | KSGXQBZTULBEEQ-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/55524_1_211915_06_9.pdf |
| Bioactivity | Dabigatran etexilate(BIBR-1048) is the orally active prodrug of dabigatran; Dabigatran is a reversible and selective, direct thrombin inhibitor (DTI) with Ki value of 4.5 nM.IC50 Value: 4.5 nM (Ki); 10 nM(Thrombin-induced platelet aggregation) [1]in vitro: Dabigatran selectively and reversibly inhibited human thrombin(Ki: 4.5 nM) as well as thrombin-induced platelet aggregation (IC(50): 10 nM), while showing no inhibitory effect on other platelet-stimulating agents.Thrombin generation in platelet-poor plasma (PPP), measured as the endogenous thrombin potential (ETP) was inhibited concentration-dependently (IC(50): 0.56 microM). Dabigatran demonstrated concentration-dependent anticoagulant effects in various species in vitro, doubling the activated partial thromboplastin time (aPTT), prothrombin time (PT) and ecarin clotting time (ECT) in human PPP at concentrations of 0.23, 0.83 and 0.18 microM, respectively [1]. in vivo: Dabigatran prolonged the aPTT dose-dependently after intravenous administration in rats (0.3, 1 and 3 mg/kg) and rhesus monkeys (0.15, 0.3 and 0.6 mg/kg). Dose- and time-dependent anticoagulant effects were observed with dabigatran etexilate administered orally to conscious rats (10, 20 and 50 mg/kg) or rhesus monkeys (1, 2.5 or 5 mg/kg), with maximum effects observed between 30 and 120 min after administration, respectively [1]. Patients treated with dabigatran etexilate experienced fewer ischaemic strokes (3.74 dabigatran etexilate vs 3.97 warfarin) and fewer combined intracranial haemorrhages and haemorrhagic strokes (0.43 dabigatran etexilate vs 0.99 warfarin) per 100 patient-years [2].Clinical trial: An Evaluation of the Pharmacokinetics and Pharmacodynamics of Oral Dabigatran Etexilate in Hemodialysis Patients . Phase1 Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Thrombin Research Areas >> Cardiovascular Disease References [1]. Wienen W, Stassen JM, Priepke H, In-vitro profile and ex-vivo anticoagulant activity of the direct thrombin inhibitor dabigatran and its orally activeprodrug, dabigatran etexilate. Thromb Haemost. 2007 Jul;98(1):155-62. [2]. Kansal AR, Sorensen SV, Gani R, Cost-effectiveness of dabigatran etexilate for the prevention of stroke and systemic embolism in UK patients withatrial fibrillation. Heart. 2012 Apr;98(7):573-8. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 827.9±75.0 °C at 760 mmHg Melting Point 128-129° Molecular Formula C34H41N7O5 Molecular Weight 627.733 Flash Point 454.5±37.1 °C Exact Mass 627.316895 PSA 154.03000 LogP 5.13 Vapour Pressure 0.0±3.0 mmHg at 25°C Index of Refraction 1.615 InChIKey KSGXQBZTULBEEQ-UHFFFAOYSA-N SMILES CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 Storage condition 2~8℃ |
| Use of | Properties Name dabigatran etexilate Synonym More Synonyms Dabigatran etexilate Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Thrombin Research Areas >> Cardiovascular Disease References [1]. Wienen W, Stassen JM, Priepke H, In-vitro profile and ex-vivo anticoagulant activity of the direct thrombin inhibitor dabigatran and its orally activeprodrug, dabigatran etexilate. Thromb Haemost. 2007 Jul;98(1):155-62. [2]. Kansal AR, Sorensen SV, Gani R, Cost-effectiveness of dabigatran etexilate for the prevention of stroke and systemic embolism in UK patients withatrial fibrillation. Heart. 2012 Apr;98(7):573-8. Chemical & Physical Properties Molecular Formula C34H41N7O5 Exact Mass 627.316895 PSA 154.03000 Index of Refraction 1.615 InChIKey KSGXQBZTULBEEQ-UHFFFAOYSA-N Storage condition 2~8℃ |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
| Related Products in API & Advanced Intermediates | ||
|---|---|---|
| Oseltamivir phosphate | 204255-11-8 | 2A-9055305 |
| Bortezomib-pinanediol | 205393-22-2 | 2A-9055341 |
| rac 7-Hydroxy Efavirenz | 205754-50-3 | 2A-9055366 |
| Darunavir | 206361-99-1 | 2A-9055375 |
| Entecavir hydrate | 209216-23-9 | 2A-9055450 |
| 9,11b-Epoxidetriamcinolone | 215095-77-5 | 2A-9055603 |
| Benazepril hydrochloride | 215447-89-5 | 2A-9055610 |
| Benazepril hydrochloride | 215447-90-8 | 2A-9055611 |
| Peginterferon alfa-2b | 215647-85-1 | 2A-9055622 |
| Esomeprazole magnesium trihydrate | 217087-09-7 | 2A-9055655 |
| Browse all API & Advanced Intermediates products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS