Oxicodegol trifluoroacetate

• CAT Number: I034061
• CAS Number: 1211231-85-4
• Molecular Formula: C33H48F3NO11
• Molecular Weight: 691.74
• Purity: 98%
• Synonyms: Oxicodegol trifluoroacetate; NKTR181 trifluoroacetate; NKTR 181 trifluoroacetate; NKTR-181 trifluoroacetate
• Solubility: To be determined
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: (4R,4aS,7S,7aR,12bS)-9-methoxy-7-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol;2,2,2-trifluoroacetic acid
• InChI: InChI=1S/C31H49NO10.C2HF3O2/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34-2;3-2(4,5)1(6)7/h4-5,25-26,29,33H,6-22H2,1-3H3;(H,6,7)/t25-,26+,29-,30-,31+;/m0./s1
• InChIKey: GOSFHCCPLYIVTB-SZBRMOEGSA-N
• SMILES: CN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)OCCOCCOCCOCCOCCOCCOC.C(=O)(C(F)(F)F)O

Oxicodegol trifluoroacetate（Cat No.:I034061）is a novel compound under investigation for its potential use as a therapeutic agent, primarily in the treatment of conditions related to opioid use, such as chronic pain or opioid dependence. It is a synthetic opioid with properties that are designed to provide analgesia with a lower risk of abuse compared to traditional opioids. The trifluoroacetate salt form is used to enhance the compound’s stability and bioavailability. While preclinical research is promising, further clinical trials are needed to assess its efficacy, safety, and suitability for long-term use in humans.

Reference

1: Henningfield JE, Gudin J, Rauck R, Gimbel J, Tagliaferri M, Doberstein SK, Di Fonzo C, Lu L, Katz N, Siddhanti S, Schnoll S. Measuring Opioid Withdrawal in a Phase 3 Study of a New Analgesic, NKTR-181 (Oxycodegol), in Patients with Moderate to Severe Chronic Low Back Pain. Pain Med. 2020 Aug 1;21(8):1553-1561. doi: 10.1093/pm/pnz326. PMID: 32150255; PMCID: PMC7530570.
2: Ge X, Henningfield JE, Siddhanti S, Jobes J, Lu L, Xie S, Ziola M, Kelsh D, Vince B, Di Fonzo CJ, Tagliaferri M, Zalevsky J, Doberstein SK, Hoch U, Eldon MA. Human Abuse Potential of Oral NKTR-181 in Recreational Opioid Users: A Randomized, Double-Blind, Crossover Study. Pain Med. 2020 Feb 1;21(2):e114-e126. doi: 10.1093/pm/pnz232. PMID: 31553457.
3: Gudin J, Rauck R, Argoff C, Agaiby E, Gimbel J, Katz N, Doberstein SK, Tagliaferri M, Tagliaferri M, Potts J, Wild J, Lu L, Siddhanti S, Hale M, Markman J. Long-term Safety and Tolerability of NKTR-181 in Patients with Moderate to Severe Chronic Low Back Pain or Chronic Noncancer Pain: A Phase 3 Multicenter, Open-Label, 52-Week Study (SUMMIT-08 LTS). Pain Med. 2020 Nov 7;21(7):1347-1356. doi: 10.1093/pm/pnz169. PMID: 31361019; PMCID: PMC7372935.