Synonym
GR 100679; GR-100679; GR100679;
IUPAC/Chemical Name
N-((3S,7R,10S)-7-((1H-indol-3-yl)methyl)-3-benzyl-2,10-dimethyl-4,6,9,12-tetraoxo-2,5,8,11-tetraazatridecan-13-yl)cyclohexanecarboxamide
InChi Key
IBEKIBIBZTXBOZ-GJDOKZOISA-N
InChi Code
InChI=1S/C34H44N6O5/c1-22(37-30(41)21-36-32(43)24-14-8-5-9-15-24)31(42)38-28(19-25-20-35-27-17-11-10-16-26(25)27)33(44)39-34(45)29(40(2)3)18-23-12-6-4-7-13-23/h4,6-7,10-13,16-17,20,22,24,28-29,35H,5,8-9,14-15,18-19,21H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44,45)/t22-,28+,29-/m0/s1
SMILES Code
O=C(NC([C@@H](CC1=CNC2=C1C=CC=C2)NC([C@H](C)NC(CNC(C3CCCCC3)=O)=O)=O)=O)[C@H](CC4=CC=CC=C4)N(C)C
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
>3 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
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
616.76
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: Stratton SC, Beresford IJ, Harvey FJ, Turpin MP, Hagan RM, Tyers MB. Anxiolytic activity of tachykinin NK2 receptor antagonists in the mouse light-dark box. Eur J Pharmacol. 1993 Dec 21;250(3):R11-2. PubMed PMID: 7906655.
2: Beresford IJ, Sheldrick RL, Ball DI, Turpin MP, Walsh DM, Hawcock AB, Coleman RA, Hagan RM, Tyers MB. GR159897, a potent non-peptide antagonist at tachykinin NK2 receptors. Eur J Pharmacol. 1995 Jan 16;272(2-3):241-8. PubMed PMID: 7713168.
3: Lundstrom K, Mills A, Allet E, Ceszkowski K, Agudo G, Chollet A, Liljestrom P. High-level expression of G protein-coupled receptors with the aid of the Semliki Forest virus expression system. J Recept Signal Transduct Res. 1995 Jan-Mar;15(1-4):23-32. PubMed PMID: 8903928.
4: Hagan RM, Beresford IJ, Stables J, Dupere J, Stubbs CM, Elliott PJ, Sheldrick RL, Chollet A, Kawashima E, McElroy AB, et al. Characterisation, CNS distribution and function of NK2 receptors studied using potent NK2 receptor antagonists. Regul Pept. 1993 Jul 2;46(1-2):9-19. PubMed PMID: 8210508.
5: Stables JM, Beresford IJ, Arkinstall S, Ireland SJ, Walsh DM, Seale PW, Ward P, Hagan RM. GR138676, a novel peptidic tachykinin antagonist which is potent at NK3 receptors. Neuropeptides. 1994 Dec;27(6):333-41. PubMed PMID: 7534879.
