IUPAC/Chemical Name
2,3,4,5,6-Pentafluorocinnamoyl-(O-2,6-dichlorobenzyl)-L-tyrosine-N-(4-amino-2,2,6,6-tetramethyl-piperidyl)amide
InChi Key
LQHZEXWBMDTGEB-SDQWYYNMSA-N
InChi Code
InChI=1S/C34H35Cl2F5N4O3/c1-33(2)15-19(42)16-34(3,4)45(33)44-32(47)25(43-26(46)13-12-21-27(37)29(39)31(41)30(40)28(21)38)14-18-8-10-20(11-9-18)48-17-22-23(35)6-5-7-24(22)36/h5-13,19,25H,14-17,42H2,1-4H3,(H,43,46)(H,44,47)/b13-12+/t25-/m0/s1
SMILES Code
O=C(NN1C(C)(C)CC(N)CC1(C)C)[C@H](CC2=CC=C(OCC3=C(Cl)C=CC=C3Cl)C=C2)NC(/C=C/C4=C(F)C(F)=C(F)C(F)=C4F)=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
713.57
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: Avdieiev S, Gera L, Havrylyuk D, Hodges RS, Lesyk R, Ribrag V, Vassetzky Y, Kavsan V. Bradykinin antagonists and thiazolidinone derivatives as new potential anti-cancer compounds. Bioorg Med Chem. 2014 Aug 1;22(15):3815-23. doi: 10.1016/j.bmc.2014.06.046. Epub 2014 Jun 30. PubMed PMID: 25012567.
2: Jutras S, Bachvarova M, Keita M, Bascands JL, Mes-Masson AM, Stewart JM, Gera L, Bachvarov D. Strong cytotoxic effect of the bradykinin antagonist BKM-570 in ovarian cancer cells--analysis of the molecular mechanisms of its antiproliferative action. FEBS J. 2010 Dec;277(24):5146-60. doi: 10.1111/j.1742-4658.2010.07928.x. Epub 2010 Nov 16. Erratum in: FEBS J. 2011 Apr;278(6):999. Gera, Lajos [added]. PubMed PMID: 21078129.
3: Stewart JM, Gera L, Chan DC, York EJ, Simkeviciene V, Bunn PA Jr, Taraseviciene-Stewart L. Combination cancer chemotherapy with one compound: pluripotent bradykinin antagonists. Peptides. 2005 Aug;26(8):1288-91. PubMed PMID: 15878795.
4: Stewart JM, Gera L, Chan DC, Bunn PA Jr, York EJ, Simkeviciene V, Helfrich B. Bradykinin-related compounds as new drugs for cancer and inflammation. Can J Physiol Pharmacol. 2002 Apr;80(4):275-80. PubMed PMID: 12025961.