Synonym
LB30870; LB-30870; LB 30870;
IUPAC/Chemical Name
((S)-1-((S)-2-(((5-carbamimidoylthiophen-2-yl)methyl)carbamoyl)pyrrolidin-1-yl)-1-oxo-3,3-diphenylpropan-2-yl)glycine
InChi Key
BIHPYGVYKSQDLA-OFVILXPXSA-N
InChi Code
InChI=1S/C28H31N5O4S/c29-26(30)22-14-13-20(38-22)16-32-27(36)21-12-7-15-33(21)28(37)25(31-17-23(34)35)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25-/m0/s1
SMILES Code
OC(CN[C@H](C(N1[C@H](C(NCC2=CC=C(C(N)=N)S2)=O)CCC1)=O)C(C3=CC=CC=C3)C4=CC=CC=C4)=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
533.64
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: Lee J, Kim B, Kim TH, Lee SH, Park HD, Chung K, Lee SH, Paek S, Kim EE, Yoon S, Kim A. A Food Effect Study of an Oral Thrombin Inhibitor and Prodrug Approach To Mitigate It. Mol Pharm. 2016 Apr 4;13(4):1197-205. doi: 10.1021/acs.molpharmaceut.5b00637. Epub 2016 Mar 1. PubMed PMID: 26886576.
2: Kim J, Lee SH, Boyce M, Warrington S, Cho KH, Yoon SK, Park HD, Kim A. Pharmacokinetics, pharmacodynamics and food effect of LB30870, a novel direct thrombin inhibitor, after single oral doses in healthy men. Xenobiotica. 2015;45(8):663-71. doi: 10.3109/00498254.2015.1010110. Epub 2015 Feb 12. PubMed PMID: 25673087.
3: Park HD, Lee SH, Kim TH, Lee SH, Cho KH, Kim A. Antithrombotic effects of LB30870, a potent, orally active, selective and direct thrombin inhibitor, and pharmacokinetics of its prodrug. Bioorg Med Chem Lett. 2013 Sep 1;23(17):4779-84. doi: 10.1016/j.bmcl.2013.07.008. Epub 2013 Jul 13. PubMed PMID: 23899618.
4: Lee K, Park CW, Jung WH, Park HD, Lee SH, Chung KH, Park SK, Kwon OH, Kang M, Park DH, Lee SK, Kim EE, Yoon SK, Kim A. Efficacious and orally bioavailable thrombin inhibitors based on a 2,5-thienylamidine at the P1 position: discovery of N-carboxymethyl-d-diphenylalanyl-l-prolyl[(5-amidino-2-thienyl)methyl]amide. J Med Chem. 2003 Aug 14;46(17):3612-22. PubMed PMID: 12904065.
