JDTic dihydrochloride

• CAT Number: I004885
• CAS Number: 785835-79-2
• Molecular Formula: C28H41Cl2N3O3
• Molecular Weight: 538.55
• Purity: ≥95%
• Synonyms: (3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide dihydrochloride
• Target: Neuronal Signaling
• Solubility: 10 mM in DMSO
• Storage: Store at -20°C
• IUPAC Name: (3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
• InChI: InChI=1S/C28H39N3O3.2ClH/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22;;/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34);2*1H/t19-,25+,26+,28+;;/m0../s1
• InChIKey: QJNHURYCTCUGHH-AVWZHOAASA-N
• SMILES: C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](C(C)C)NC(=O)[C@H]3CC4=C(CN3)C=C(C=C4)O.Cl.Cl

JDTic dihydrochloride（Cat No.:I004885）is a selective antagonist of the kappa-opioid receptor (KOR), which is involved in pain regulation, mood, and addiction. By blocking KOR activation, JDTic has potential therapeutic applications in treating conditions such as depression, anxiety, and addiction, particularly for opioid dependence. It has been studied for its ability to mitigate the negative effects associated with KOR activation, such as dysphoria and stress. JDTic dihydrochloride has shown promise in preclinical studies as a treatment for mood disorders, but its clinical use and safety profile are still under investigation.

Reference

[1]. Mitch, Charles H. et al. Discovery of Aminobenzyloxyarylamides as .kappa. Opioid Receptor Selective Antagonists: Application to Preclinical Development of a .kappa. Opioid Receptor Antagonist Receptor Occupancy Tracer. Journal of Medicinal Chemistry (2011), 54(23), 8000-8012.
[2]. Schank JR, Goldstein AL, Rowe KE, King CE, Marusich JA, Wiley JL, Carroll FI, Thorsell A, Heilig M. The kappa opioid receptor antagonist JDTic attenuates alcohol seeking and withdrawal anxiety. Addict Biol. 2012 May;17(3):634-47. doi: 10.1111/j.1369-1600.2012.00455.x.
[3]. Wu H, Wacker D, Mileni M, Katritch V, Han GW, Vardy E, Liu W, Thompson AA, Huang XP, Carroll FI, Mascarella SW, Westkaemper RB, Mosier PD, Roth BL, Cherezov V, Stevens RC. Structure of the human κ-opioid receptor in complex with JDTic. Nature. 2012 Mar 21;485(7398):327-32. doi: 10.1038/nature10939.
[4]. Beardsley PM, Pollard GT, Howard JL, Carroll FI. Effectiveness of analogs of the kappa opioid receptor antagonist (3R)-7-hydroxy-N-((1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide (JDTic) to reduce U50,488-induced diuresis and stress-induced cocaine reinstatement in rats. Psychopharmacology (Berl). 2010 Jun;210(2):189-98.
[5]. Jackson KJ, Carroll FI, Negus SS, Damaj MI. Effect of the selective kappa-opioid receptor antagonist JDTic on nicotine antinociception, reward, and withdrawal in the mouse. Psychopharmacology (Berl). 2010 Jun;210(2):285-94.