JJC8-091 | CAS#N/A | DAT ligand

MedKoo Cat#: 130234 | Name: JJC8-091

Description:

WARNING: This product is for research use only, not for human or veterinary use.

JJC8-091 is a dopamine transporter (DAT) ligand and shows promise for use as a treatment for cocaine use disorder, as well as other psychostimulant use disorders.

Chemical Structure

JJC8-091

CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130234

Name: JJC8-091

CAS#: N/A

Chemical Formula: C24H30F2N2O6S

Exact Mass: 512.1793

Molecular Weight: 512.57

Elemental Analysis: C, 56.24; H, 5.90; F, 7.41; N, 5.47; O, 18.73; S, 6.25

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

JJC8-091; JJC8 091

IUPAC/Chemical Name

1-(4-(2-((bis(4-fluorophenyl)methyl)sulfinyl)ethyl)piperazin-1-yl)propan-2-ol oxalate

InChi Key

HNEMAXXGBHRNDE-UHFFFAOYSA-N

InChi Code

InChI=1S/C22H28F2N2O2S.C2H2O4/c1-17(27)16-26-12-10-25(11-13-26)14-15-29(28)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19;3-1(4)2(5)6/h2-9,17,22,27H,10-16H2,1H3;(H,3,4)(H,5,6)

SMILES Code

CC(O)CN1CCN(CCS(C(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3)=O)CC1.O=C(O)C(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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 512.57 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. Rahimi O, Cao J, Lam J, Childers SR, Rais R, Porrino LJ, Newman AH, Nader MA. The Effects of the Dopamine Transporter Ligands JJC8-088 and JJC8-091 on Cocaine versus Food Choice in Rhesus Monkeys. J Pharmacol Exp Ther. 2023 Mar;384(3):372-381. doi: 10.1124/jpet.122.001363. Epub 2022 Dec 6. PMID: 36507847. 2. Newman AH, Ku T, Jordan CJ, Bonifazi A, Xi ZX. New Drugs, Old Targets: Tweaking the Dopamine System to Treat Psychostimulant Use Disorders. Annu Rev Pharmacol Toxicol. 2021 Jan 6;61:609-628. doi: 10.1146/annurev-pharmtox-030220-124205. PMID: 33411583; PMCID: PMC9341034. 3. Tanda G, Hersey M, Hempel B, Xi ZX, Newman AH. Modafinil and its structural analogs as atypical dopamine uptake inhibitors and potential medications for psychostimulant use disorder. Curr Opin Pharmacol. 2021 Feb;56:13-21. doi: 10.1016/j.coph.2020.07.007. Epub 2020 Sep 11. PMID: 32927246; PMCID: PMC8247144. 4. Jordan CJ, Cao J, Newman AH, Xi ZX. Progress in agonist therapy for substance use disorders: Lessons learned from methadone and buprenorphine. Neuropharmacology. 2019 Nov 1;158:107609. doi: 10.1016/j.neuropharm.2019.04.015. Epub 2019 Apr 19. PMID: 31009632; PMCID: PMC6745247. 5. Newman AH, Cao J, Keighron JD, Jordan CJ, Bi GH, Liang Y, Abramyan AM, Avelar AJ, Tschumi CW, Beckstead MJ, Shi L, Tanda G, Xi ZX. Translating the atypical dopamine uptake inhibitor hypothesis toward therapeutics for treatment of psychostimulant use disorders. Neuropsychopharmacology. 2019 Jul;44(8):1435-1444. doi: 10.1038/s41386-019-0366-z. Epub 2019 Mar 11. PMID: 30858517; PMCID: PMC6785152. 6. Keighron JD, Quarterman JC, Cao J, DeMarco EM, Coggiano MA, Gleaves A, Slack RD, Zanettini C, Newman AH, Tanda G. Effects of ( R)-Modafinil and Modafinil Analogues on Dopamine Dynamics Assessed by Voltammetry and Microdialysis in the Mouse Nucleus Accumbens Shell. ACS Chem Neurosci. 2019 Apr 17;10(4):2012-2021. doi: 10.1021/acschemneuro.8b00340. Epub 2019 Jan 31. PMID: 30645944; PMCID: PMC8294083. 7. Tunstall BJ, Ho CP, Cao J, Vendruscolo JCM, Schmeichel BE, Slack RD, Tanda G, Gadiano AJ, Rais R, Slusher BS, Koob GF, Newman AH, Vendruscolo LF. Atypical dopamine transporter inhibitors attenuate compulsive-like methamphetamine self-administration in rats. Neuropharmacology. 2018 Mar 15;131:96-103. doi: 10.1016/j.neuropharm.2017.12.006. Epub 2017 Dec 5. PMID: 29217282; PMCID: PMC5820113.