Synonym
GR73632 (acetate); GR73632 acetate; GR-73632; GR 73632; GR73632
IUPAC/Chemical Name
(S)-N-((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((5-aminopentanoyl)-L-phenylalanyl-L-phenylalanyl)-N-methylpyrrolidine-2-carboxamide, acetate salt
InChi Key
JPTHKLGOFVAHTM-DYORFFRXSA-N
InChi Code
InChI=1S/C40H59N7O6S.C2H4O2/c1-27(2)24-34(38(51)44-30(36(42)49)20-23-54-4)46(3)40(53)33-18-13-22-47(33)39(52)32(26-29-16-9-6-10-17-29)45-37(50)31(25-28-14-7-5-8-15-28)43-35(48)19-11-12-21-41;1-2(3)4/h5-10,14-17,27,30-34H,11-13,18-26,41H2,1-4H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50);1H3,(H,3,4)/t30-,31-,32-,33-,34-;/m0./s1
SMILES Code
O=C([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=CC=C2)NC(CCCCN)=O)=O)N3[C@H](C(N(C)[C@@H](CC(C)C)C(N[C@@H](CCSC)C(N)=O)=O)=O)CCC3.CC(O)=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
826.07
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. Hall, J.M., and Morton, I.K.M. Novel ligands confirm NK-1 receptor-mediated modulation of neurotransmission in the guinea pig vas deferens preparation. Ann. N. Y. Acad. Sci. 632, 404-406 (1991).
2. Trower, M.K., Fisher, A., Upton, N., et al. Neurokinin-1 receptor antagonist orvepitant is an effective inhibitor of itch-associated response in a Mongolian gerbil model of scratching behaviour. Exp. Dermatol. 23(11), 858-860 (2014).
3. Di Fabio, R., Alvaro, G., Griffante, C., et al. Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate. J. Med. Chem. 54(4), 1071-1079 (2011).
4. Zhong, W., Chebolu, S., and Darmani, N.A. Intracellular emetic signaling cascades by which the selective neurokinin type 1 receptor (NK1R) agonist GR73632 evokes vomiting in the least shrew (Cryptotis parva). Neurochem. Int. 122, 106-119 (2019).
0455.jpg "GR73632 (acetate)")
