Synonym
MP1104; MP 1104; MP-1104
IUPAC/Chemical Name
N-((4R,4aR,7R,7aR,12bS)-3-(Cyclopropylmethyl)-9-hydroxy-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)-3-iodobenzamide
InChi Key
WTIFKSFIQUZRRN-JXGKSYOJSA-N
InChi Code
InChI=1S/C27H27IN2O3/c28-18-3-1-2-17(12-18)26(32)29-20-8-7-19-21-13-16-6-9-22(31)24-23(16)27(19,25(20)33-24)10-11-30(21)14-15-4-5-15/h1-3,6-9,12,15,19-21,25,31H,4-5,10-11,13-14H2,(H,29,32)/t19-,20+,21+,25-,27-/m0/s1
SMILES Code
O=C(N[C@H]1[C@@](OC2=C(O)C=CC3=C24)([H])[C@@]54CCN(CC6CC6)[C@@](C3)([H])[C@]5([H])C=C1)C7=CC=CC(I)=C7
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
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
554.43
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: Atigari DV, Uprety R, Pasternak GW, Majumdar S, Kivell BM. MP1104, a mixed kappa-delta opioid receptor agonist has anti-cocaine properties with reduced side-effects in rats. Neuropharmacology. 2019 May 15;150:217-228. doi: 10.1016/j.neuropharm.2019.02.010. Epub 2019 Feb 13. PubMed PMID: 30768946; PubMed Central PMCID: PMC6585989.
2: Che T, Majumdar S, Zaidi SA, Ondachi P, McCorvy JD, Wang S, Mosier PD, Uprety R, Vardy E, Krumm BE, Han GW, Lee MY, Pardon E, Steyaert J, Huang XP, Strachan RT, Tribo AR, Pasternak GW, Carroll FI, Stevens RC, Cherezov V, Katritch V, Wacker D, Roth BL. Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor. Cell. 2018 Jan 11;172(1-2):55-67.e15. doi: 10.1016/j.cell.2017.12.011. Epub 2018 Jan 4. PubMed PMID: 29307491; PubMed Central PMCID: PMC5802374.
3: Váradi A, Marrone GF, Eans SO, Ganno ML, Subrath JJ, Le Rouzic V, Hunkele A, Pasternak GW, McLaughlin JP, Majumdar S. Synthesis and characterization of a dual kappa-delta opioid receptor agonist analgesic blocking cocaine reward behavior. ACS Chem Neurosci. 2015 Nov 18;6(11):1813-24. doi: 10.1021/acschemneuro.5b00153. Epub 2015 Sep 14. PubMed PMID: 26325040; PubMed Central PMCID: PMC4651729.
4: An X, Bai Q, Bing Z, Zhou S, Shi D, Liu H, Yao X. How Does Agonist and Antagonist Binding Lead to Different Conformational Ensemble Equilibria of the κ-Opioid Receptor: Insight from Long-Time Gaussian Accelerated Molecular Dynamics Simulation. ACS Chem Neurosci. 2019 Mar 20;10(3):1575-1584. doi: 10.1021/acschemneuro.8b00535. Epub 2018 Nov 13. PubMed PMID: 30372027.
