WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 556086
CAS#: 1807943-38-9
Description: CUN43389, also known as SMS1-IN-1 and SAPA1j, is a SAPA inhibitor (sphingomyelin synthase 1 inhibitor). SAPA 1j was found to be the most potent SMS1 inhibitor with an IC50 value of 2.1 μM in in vitro assay. This compound was first reported n Bioorg Med Chem 2015 Sep 15;23(18):6173-84. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).
MedKoo Cat#: 556086
Name: CUN43389
CAS#: 1807943-38-9
Chemical Formula: C23H23BrN2O4
Exact Mass: 502.0562
Molecular Weight: 503.411
Elemental Analysis: C, 54.88; H, 4.61; Br, 15.87; N, 5.56; O, 12.71; S, 6.37
Synonym: SMS1-IN-1; SAPA1j; Compound 1j; CUN43389; CUN-43389; CUN 43389;
IUPAC/Chemical Name: N-(4-Bromobenzyl)-2-(4-(N-phenethylsulfamoyl)phenoxy)acetamide
InChi Key: CZAFIFBJBFDMTP-UHFFFAOYSA-N
InChi Code: InChI=1S/C23H23BrN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)
SMILES Code: O=C(NCC1=CC=C(Br)C=C1)COC2=CC=C(S(=O)(NCCC3=CC=CC=C3)=O)C=C2
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
The following data is based on the product molecular weight 503.411 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 |
Li YL, Qi XY, Jiang H, Deng XD, Dong YP, Ding TB, Zhou L, Men P, Chu Y, Wang RX, Jiang XC, Ye DY. Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors. Bioorg Med Chem. 2015 Sep 15;23(18):6173-84. doi: 10.1016/j.bmc.2015.07.060. Epub 2015 Jul 30. PMID: 26314925.
