MedKoo Cat#: 581165 | Name: Dabigatran ethyl ester
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

dabigatran ethyl ester is potent inhibitors of ribosyldihydronicotinamide dehydrogenase (NQO2).

Chemical Structure

Dabigatran ethyl ester
Dabigatran ethyl ester
CAS#429658-95-7 (ethyl ester)

Theoretical Analysis

MedKoo Cat#: 581165

Name: Dabigatran ethyl ester

CAS#: 429658-95-7 (ethyl ester)

Chemical Formula: C27H29N7O3

Exact Mass: 499.2332

Molecular Weight: 499.58

Elemental Analysis: C, 64.91; H, 5.85; N, 19.63; O, 9.61

Price and Availability

Size Price Availability Quantity
25mg USD 385.00 2 Weeks
50mg USD 685.00 2 Weeks
100mg USD 985.00 2 Weeks
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Synonym
Dabigatran ethyl ester; BIBR-951CL; BIBR 951CL; BIBR951CL; UNII-KJ4EH9410G;
IUPAC/Chemical Name
beta-Alanine, N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-, ethyl ester
InChi Key
BGLLICFSSKPUMR-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H29N7O3/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/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)
SMILES Code
O=C(OCC)CCN(C(C1=CC=C2C(N=C(CNC3=CC=C(C(N)=N)C=C3)N2C)=C1)=O)C4=NC=CC=C4
Appearance
Solid powder
Purity
>97% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 499.58 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Michaelis S, Marais A, Schrey AK, Graebner OY, Schaudt C, Sefkow M, Kroll F, Dreger M, Glinski M, Koester H, Metternich R, Fischer JJ. Dabigatran and dabigatran ethyl ester: potent inhibitors of ribosyldihydronicotinamide dehydrogenase (NQO2). J Med Chem. 2012 Apr 26;55(8):3934-44. doi: 10.1021/jm3001339. Epub 2012 Apr 17. PubMed PMID: 22494098.