Synonym
VK4-116; VK4116; VK4 116;
IUPAC/Chemical Name
N-(4-(4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl)-3-hydroxybutyl)-1H-indole-2-carboxamide
InChi Key
NRSBRNRWCATXOT-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)
SMILES Code
O=C(NCCC(O)CN1CCN(C2=C(OC)C(Cl)=CC(CC)=C2)CC1)C3=CC4=C(N3)C=CC=C4
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
485.03
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: Botz-Zapp CA, Foster SL, Pulley DM, Hempel B, Bi GH, Xi ZX, Newman AH, Weinshenker D, Manvich DF. Effects of the selective dopamine D3 receptor antagonist PG01037 on morphine-induced hyperactivity and antinociception in mice. Behav Brain Res. 2021 Oct 11;415:113506. doi: 10.1016/j.bbr.2021.113506. Epub 2021 Aug 2. PMID: 34352292; PMCID: PMC8403645.
2: de Guglielmo G, Kallupi M, Sedighim S, Newman AH, George O. Dopamine D3 Receptor Antagonism Reverses the Escalation of Oxycodone Self- administration and Decreases Withdrawal-Induced Hyperalgesia and Irritability- Like Behavior in Oxycodone-Dependent Heterogeneous Stock Rats. Front Behav Neurosci. 2020 Jan 14;13:292. doi: 10.3389/fnbeh.2019.00292. PMID: 31992976; PMCID: PMC6971096.
3: Jordan CJ, Humburg BA, Thorndike EB, Shaik AB, Xi ZX, Baumann MH, Newman AH, Schindler CW. Newly Developed Dopamine D3 Receptor Antagonists, R-VK4-40 and R-VK4-116, Do Not Potentiate Cardiovascular Effects of Cocaine or Oxycodone in Rats. J Pharmacol Exp Ther. 2019 Dec;371(3):602-614. doi: 10.1124/jpet.119.259390. Epub 2019 Sep 27. PMID: 31562201; PMCID: PMC6863462.
4: You ZB, Bi GH, Galaj E, Kumar V, Cao J, Gadiano A, Rais R, Slusher BS, Gardner EL, Xi ZX, Newman AH. Dopamine D3R antagonist VK4-116 attenuates oxycodone self-administration and reinstatement without compromising its antinociceptive effects. Neuropsychopharmacology. 2019 Jul;44(8):1415-1424. doi: 10.1038/s41386-018-0284-5. Epub 2018 Nov 27. PMID: 30555159; PMCID: PMC6785005.
