MedKoo Cat#: 593113 | Name: Axelopran sulfate (discontinued)

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 sulfate (discontinued)
Axelopran sulfate (discontinued)
CAS#949904-50-1 (sulfate)

Theoretical Analysis

MedKoo Cat#: 593113

Name: Axelopran sulfate (discontinued)

CAS#: 949904-50-1 (sulfate)

Chemical Formula: C26H41N3O8S

Exact Mass: 555.2614

Molecular Weight: 555.69

Elemental Analysis: C, 56.20; H, 7.44; N, 7.56; O, 23.03; S, 5.77

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.
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Related CAS #
949904-50-1 (sulfate) 949904-48-7 (free base) 949904-56-7 (oxalate) 949904-49-8 (TFA)
Synonym
Axelopran sulfate; TD-1211; TD 1211; TD1211; Axelopran;
IUPAC/Chemical Name
Benzamide, 3-((3-endo)-8-(2-((cyclohexylmethyl)((2S)-2,3-dihydroxy-1-oxopropyl)amino)ethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, sulfate (1:1)
InChi Key
QNFFAKFVKCGLPK-LYMPHXRUSA-N
InChi Code
InChI=1S/C26H39N3O4.H2O4S/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;1-5(2,3)4/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32);(H2,1,2,3,4)/t21?,22?,23?,24-;/m0./s1
SMILES Code
O=C(N)C1=CC=CC(C2CC(N3CCN(CC4CCCCC4)C([C@@H](O)CO)=O)CCC3C2)=C1.O=S(O)(O)=O
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
Shelf Life
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 555.69 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
1: Nee J, Zakari M, Sugarman MA, Whelan J, Hirsch W, Sultan S, Ballou S, Iturrino J, Lembo A. Efficacy of Treatments for Opioid-Induced Constipation: Systematic Review and Meta-Analysis. Clin Gastroenterol Hepatol. 2018 Jan 31. pii: S1542-3565(18)30087-9. doi: 10.1016/j.cgh.2018.01.021. [Epub ahead of print] Review. PubMed PMID: 29374616. 2: Jiang L, Beattie DT, Jacobsen JR, Kintz S, Obedencio GP, Saito D, Stergiades I, Vickery RG, Long DD. Discovery of N-substituted-endo-3-(8-aza-bicyclo[3.2.1]oct-3-yl)-phenol and -phenyl carboxamide series of μ-opioid receptor antagonists. Bioorg Med Chem Lett. 2017 Jul 1;27(13):2926-2930. doi: 10.1016/j.bmcl.2017.04.092. Epub 2017 May 3. PubMed PMID: 28499731. 3: Holder RM, Rhee D. Novel Oral Therapies for Opioid-induced Bowel Dysfunction in Patients with Chronic Noncancer Pain. Pharmacotherapy. 2016 Mar;36(3):287-99. doi: 10.1002/phar.1711. Epub 2016 Mar 6. Review. PubMed PMID: 26945548.