ML-SI3

• CAS: 891016-02-7
• Catalog Number: ACM891016027
• Category: Antagonists
• Molecular Weight: 429.58
• Molecular Formula: C23H31N3O3S
• Description: ML-SI3 is a chemical compound which acts as an "antagonist" (i.e. channel blocker) of the TRPML family of calcium channels, with greatest activity at the TRPML1 channel, although it also blocks the related TRPML2 and TRPML3 channels with lower affinity. It is used for research into the role of TRPML1 and its various functions in lysosomes and elsewhere in the body.
• Synonyms: ML-SI3; ML SI3; MLSI3; ML SI 3; MLSI-3
• IUPAC Name: N-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]cyclohexyl)benzenesulfonamide
• Canonical SMILES: O=S(C1=CC=CC=C1)(NC2C(N3CCN(C4=CC=CC=C4OC)CC3)CCCC2)=O
• InChI: InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3
• InChI Key: OVTXOMMQHRIKGL-UHFFFAOYSA-N
• Solubility: To be determined
• Appearance: Solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Biological Target: ML-SI3 is a potent TRPML channel inhibitor with IC50s of 4.7 µM and 1.7 µM for TRPML1 and TRPML2, respectively.
• Drug Formulation: To be determined
• Elemental Analysis: C, 64.31; H, 7.27; N, 9.78; O, 11.17; S, 7.46
• Exact Mass: 429.2086
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: A cryo-electron microscopy structure of human TRPML1 with ML-SI3 at 2.9-Å resolution was reported. ML-SI3 binds to the hydrophobic cavity created by S5, S6, and PH1, the same cavity where the synthetic agonist ML-SA1 binds. Electrophysiological characterizations show that ML-SI3 can compete with ML-SA1, blocking channel activation yet does not inhibit PI(3,5)P2-dependent activation of the channel.; Reference: Structure. 2021 Nov 4;29(11):1295-1302.e3. https://pubmed.ncbi.nlm.nih.gov/34171299/
• In Vivo Activity: TBD
• Shipping: 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.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).