Synonym
Dup-714; Dup 714; Dup714.
IUPAC/Chemical Name
[(1R)-1-[[(2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid
InChi Key
FXFYPTZERULUBS-SQNIBIBYSA-N
InChi Code
InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
SMILES Code
N/C(N)=N\CCC[C@@H](B(O)O)NC([C@H]1N(C([C@H](NC(C)=O)CC2=CC=CC=C2)=O)CCC1)=O
Purity
>98% (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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
460.34
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.
| 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: McBane RD 2nd, Hassinger NL, Mruk JS, Grill DE, Chesebro JH. Direct thrombin inhibitors are not equally effective in vivo against arterial thrombosis: in vivo evaluation of DuP714 and argatroban in a porcine angioplasty model and comparison to r-hirudin. Thromb Res. 2005;116(6):525-32. PubMed PMID: 16181988.
2: De Nanteuil G, Verbeuren TJ. S 18326: a thrombin inhibitor that shows potential for oral treatment of thromboembolic disorders. Expert Opin Investig Drugs. 1999 Feb;8(2):173-80. PubMed PMID: 15992071.
3: Van Aken H, Bode C, Darius H, Diehm C, Encke A, Gulba DC, Haas S, Hacke W, Puhl W, Quante M, Riess H, Scharf R, Schellong S, Schrör T, Schulte KL, Tebbe U. Anticoagulation: the present and future. Clin Appl Thromb Hemost. 2001 Jul;7(3):195-204. Review. PubMed PMID: 11441979.
