Naloxegol Free Base

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MedKoo CAT#: 414430

CAS#: 854601-70-0 (free base)

Description: Naloxegol Free Base is a peripherally acting opioid receptor antagonist specific for mu-opioid receptors. Used to decrease the constipating effects of opioids.

Chemical Structure

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Naloxegol Free Base
CAS# 854601-70-0 (free base)
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 414430
Name: Naloxegol Free Base
CAS#: 854601-70-0 (free base)
Chemical Formula: C34H53NO11
Exact Mass: 651.36
Molecular Weight: 651.794
Elemental Analysis: C, 62.65; H, 8.20; N, 2.15; O, 27.00

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 1354744-91-4 (oxalate)   854601-70-0 (free base)  

Synonym: Naloxegol Free Base; NKTR118; NKTR-118; NKTR 118; HSDB8338; HSDB-8338; HSDB 8338

IUPAC/Chemical Name: Morphinan-3,14-diol, 4,5-epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)- 17-(2-propenyl)-, (5alpha,6alpha)-

InChi Key: XNKCCCKFOQNXKV-YZHZYEHBSA-N

InChi Code: InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29-,32+,33+,34-/m1/s1

SMILES Code: OC1=CC=C2C[C@@H](N(CC=C)CC3)[C@]4(O)CC[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)[C@@]5([H])[C@]43C2=C1O5

Appearance: Solid powder

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:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: Naloxegol Free Base is a peripherally acting opioid receptor antagonist specific for mu-opioid receptors.
In vitro activity: At the human µ-opioid receptor in vitro, naloxegol was a potent inhibitor of binding (Ki = 7.42 nM) and a neutral competitive antagonist (pA2 - 7.95); agonist effects were <10% up to 30 μM and identical to those of naloxone. Reference: J Pharmacol Exp Ther. 2017 May;361(2):280-291. https://pubmed.ncbi.nlm.nih.gov/28336575/
In vivo activity: TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 651.79 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.

Recalculate based on batch purity %
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
Formulation protocol: Floettmann E, Bui K, Sostek M, Payza K, Eldon M. Pharmacologic Profile of Naloxegol, a Peripherally Acting µ-Opioid Receptor Antagonist, for the Treatment of Opioid-Induced Constipation. J Pharmacol Exp Ther. 2017 May;361(2):280-291. doi: 10.1124/jpet.116.239061. Epub 2017 Mar 23. PMID: 28336575; PMCID: PMC5399635.
In vitro protocol: Floettmann E, Bui K, Sostek M, Payza K, Eldon M. Pharmacologic Profile of Naloxegol, a Peripherally Acting µ-Opioid Receptor Antagonist, for the Treatment of Opioid-Induced Constipation. J Pharmacol Exp Ther. 2017 May;361(2):280-291. doi: 10.1124/jpet.116.239061. Epub 2017 Mar 23. PMID: 28336575; PMCID: PMC5399635.
In vivo protocol: TBD

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1: Chey WD, Webster L, Sostek M, Lappalainen J, Barker PN, Tack J. Naloxegol for opioid-induced constipation in patients with noncancer pain. N Engl J Med. 2014 Jun 19;370(25):2387-96. doi: 10.1056/NEJMoa1310246. Epub 2014 Jun 4. PMID: 24896818.

2: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012–. Naloxegol. 2020 Mar 24. PMID: 31643924.

3: Daniali M, Nikfar S, Abdollahi M. Evaluating naloxegol for the treatment of opioid-induced constipation. Expert Opin Pharmacother. 2020 Jun;21(8):883-891. doi: 10.1080/14656566.2020.1735354. Epub 2020 Mar 4. PMID: 32129103.

4: Drugs and Lactation Database (LactMed) [Internet]. Bethesda (MD): National Library of Medicine (US); 2006–. Naloxegol. 2019 Jun 3. PMID: 31260226.

5: Bui K, Zhou D, Xu H, Floettmann E, Al-Huniti N. Clinical Pharmacokinetics and Pharmacodynamics of Naloxegol, a Peripherally Acting µ-Opioid Receptor Antagonist. Clin Pharmacokinet. 2017 Jun;56(6):573-582. doi: 10.1007/s40262-016-0479-z. PMID: 28035588.

6: Leppert W, Woron J. The role of naloxegol in the management of opioid-induced bowel dysfunction. Therap Adv Gastroenterol. 2016 Sep;9(5):736-46. doi: 10.1177/1756283X16648869. Epub 2016 May 26. PMID: 27582887; PMCID: PMC4984326.

7: Davies AN, Leach C. Naloxegol for opioid-induced sphincter of Oddi spasm/dysfunction. BMJ Support Palliat Care. 2019 Dec;9(4):365-366. doi: 10.1136/bmjspcare-2019-001808. Epub 2019 Jun 14. PMID: 31201151.

8: Al-Huniti N, Zhou D, Xu H, Aksenov S, Bui KH, Fox R, Helmlinger G, Stanski D. Pharmacometric Modeling of Naloxegol Efficacy and Safety: Impact on Dose and Label. Clin Pharmacol Ther. 2017 Nov;102(5):741-744. doi: 10.1002/cpt.719. Epub 2017 May 26. PMID: 28548207.

9: ▼Naloxegol for opioid-induced constipation. Drug Ther Bull. 2015 Dec;53(12):138-40. doi: 10.1136/dtb.2015.12.0369. PMID: 26660436.

10: Tack J, Corsetti M. Naloxegol for the treatment of opioid-induced constipation. Expert Rev Gastroenterol Hepatol. 2014 Nov;8(8):855-61. doi: 10.1586/17474124.2014.939629. Epub 2014 Sep 15. PMID: 25220391.