MedKoo Cat#: 461246 | Name: Dexecadotril

Description:

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

Dexecadotril is a powerful and selective inhibitor of neprilysin. It behaves as a prodrug of the enantiomer of thiorphan.

Chemical Structure

Dexecadotril
Dexecadotril
CAS#112573-72-5

Theoretical Analysis

MedKoo Cat#: 461246

Name: Dexecadotril

CAS#: 112573-72-5

Chemical Formula: C21H23NO4S

Exact Mass: 385.1348

Molecular Weight: 385.47

Elemental Analysis: C, 65.43; H, 6.01; N, 3.63; O, 16.60; S, 8.32

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
Dexecadotril; Retorphan;
IUPAC/Chemical Name
benzyl (R)-(3-(acetylthio)-2-benzylpropanoyl)glycinate
InChi Key
ODUOJXZPIYUATO-IBGZPJMESA-N
InChi Code
InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/t19-/m0/s1
SMILES Code
O=C(OCC1=CC=CC=C1)CNC([C@H](CSC(C)=O)CC2=CC=CC=C2)=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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 385.47 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: Monteil T, Danvy D, Sihel M, Leroux R, Plaquevent JC. Strategies for access to enantiomerically pure ecadotril, dexecadotril and fasidotril: a review. Mini Rev Med Chem. 2002 Jun;2(3):209-17. Review. PubMed PMID: 12370063. 2: James N, Ramanathan K. Discovery of Potent ALK Inhibitors Using Pharmacophore-Informatics Strategy. Cell Biochem Biophys. 2018 Jun;76(1-2):111-124. doi: 10.1007/s12013-017-0800-y. Epub 2017 May 6. PubMed PMID: 28477056.