Axelopran | TD-1211 |CAS# 949904-48-7 | 949904-50-1 | opioid receptor antagonist

MedKoo Cat#: 316997 | Name: Axelopran

Description:

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

This product is discontinued for commercial reason.

Chemical Structure

Axelopran

CAS#949904-48-7 (free base)

Theoretical Analysis

MedKoo Cat#: 316997

Name: Axelopran

CAS#: 949904-48-7 (free base)

Chemical Formula: C26H39N3O4

Exact Mass: 457.2941

Molecular Weight: 457.62

Elemental Analysis: C, 68.24; H, 8.59; N, 9.18; O, 13.98

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Related CAS #

949904-50-1 (sulfate) 949904-48-7 (free base) 949904-56-7 (oxalate) 949904-49-8 (TFA)

Synonym

TD-1211; TD 1211; TD1211; Axelopran

IUPAC/Chemical Name

3-[(1R,5S)-8-[2-[cyclohexylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

InChi Key

ATLYLVPZNWDJBW-KIHHCIJBSA-N

InChi Code

InChI=1S/C26H39N3O4/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32)/t21-,22+,23-,24-/m0/s1

SMILES Code

O[C@H](C(N(CC1CCCCC1)CCN2[C@H](C3)CC[C@@H]2C[C@@H]3C4=CC(C(N)=O)=CC=C4)=O)CO

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

Soluble in DMSO, not in water

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

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

Relateid: 949904-48-7 (Axelopra free base) 949904-50-1 (Axelopra sulfate salt)

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 457.62 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: Tsuruda PR, Vickery RG, Long DD, Armstrong SR, Beattie DT. The in vitro pharmacological profile of TD-1211, a neutral opioid receptor antagonist. Naunyn Schmiedebergs Arch Pharmacol. 2013 Jun;386(6):479-91. doi: 10.1007/s00210-013-0850-7. Epub 2013 Apr 4. PubMed PMID: 23549670. 2: Armstrong SR, Campbell CB, Richardson CL, Vickery RG, Tsuruda PR, Long DD, Hegde SS, Beattie DT. The in vivo pharmacodynamics of the novel opioid receptor antagonist, TD-1211, in models of opioid-induced gastrointestinal and CNS activity. Naunyn Schmiedebergs Arch Pharmacol. 2013 Jun;386(6):471-8. doi: 10.1007/s00210-013-0844-5. Epub 2013 Mar 13. PubMed PMID: 23512167. 3: Diego L, Atayee R, Helmons P, Hsiao G, von Gunten CF. Novel opioid antagonists for opioid-induced bowel dysfunction. Expert Opin Investig Drugs. 2011 Aug;20(8):1047-56. doi: 10.1517/13543784.2011.592830. Epub 2011 Jun 12. Review. PubMed PMID: 21663526. 4: Camilleri M. Opioid-induced constipation: challenges and therapeutic opportunities. Am J Gastroenterol. 2011 May;106(5):835-42; quiz 843. doi: 10.1038/ajg.2011.30. Epub 2011 Feb 22. Review. PubMed PMID: 21343919.