WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H577808
CAS#: 864825-13-8
Description: Eluxadoline dihydrochloride is an orally-active drug approved for the treatment of diarrhea and abdominal pain in individuals with diarrhea-predominant irritable bowel syndrome (IBS-D). Eluxadoline is a μ- and κ-opioid receptor agonist and δ-opioid receptor antagonist that acts locally in the enteric nervous system, possibly decreasing adverse effects on the central nervous system. This product is discontinued (DEA Schedule IV).
Hodoodo Cat#: H577808
Name: Eluxadoline dihydrochloride
CAS#: 864825-13-8
Chemical Formula: C32H37Cl2N5O5
Exact Mass: 641.22
Molecular Weight: 642.580
Elemental Analysis: C, 59.81; H, 5.80; Cl, 11.03; N, 10.90; O, 12.45
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Synonym: Eluxadoline dihydrochloride; Eluxadoline 2HCl
IUPAC/Chemical Name: 5-(((S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoic acid dihydrochloride
InChi Key: YFUUQKJOCLQHMZ-ISJKLOBTSA-N
InChi Code: InChI=1S/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H/t20-,26-;;/m0../s1
SMILES Code: Cl.Cl.COc1ccc(CN([C@@H](C)c2ncc([nH]2)c3ccccc3)C(=O)[C@@H](N)Cc4c(C)cc(cc4C)C(=O)N)cc1C(=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: 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:
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The following data is based on the product molecular weight 642.58 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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1: Adler AI. NICE guidance on eluxadoline for treating irritable bowel syndrome with diarrhoea. Lancet Gastroenterol Hepatol. 2017 Nov;2(11):779-780. doi: 10.1016/S2468-1253(17)30267-4. Epub 2017 Aug 31. PubMed PMID: 31787228.