WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 556041
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.
MedKoo Cat#: 556041
Chemical Formula: C23H31N3O3S
Exact Mass: 429.2086
Molecular Weight: 429.579
Elemental Analysis: C, 64.31; H, 7.27; N, 9.78; O, 11.17; S, 7.46
Synonym: ML-SI3; ML SI3; MLSI3; ML SI 3; MLSI-3;
IUPAC/Chemical Name: N-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]cyclohexyl)benzenesulfonamide
InChi Key: OVTXOMMQHRIKGL-UHFFFAOYSA-N
InChi Code: 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
SMILES Code: O=S(C1=CC=CC=C1)(NC2C(N3CCN(C4=CC=CC=C4OC)CC3)CCCC2)=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
The following data is based on the product molecular weight 429.579 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|
1: Schmiege P, Fine M, Li X. Atomic insights into ML-SI3 mediated human TRPML1 inhibition. Structure. 2021 Jun 19:S0969-2126(21)00207-0. doi: 10.1016/j.str.2021.06.003. Epub ahead of print. PMID: 34171299.
2: Leser C, Keller M, Gerndt S, Urban N, Chen CC, Schaefer M, Grimm C, Bracher F. Chemical and pharmacological characterization of the TRPML calcium channel blockers ML-SI1 and ML-SI3. Eur J Med Chem. 2021 Jan 15;210:112966. doi: 10.1016/j.ejmech.2020.112966. Epub 2020 Oct 24. PMID: 33187805.
3: Li D, Shao R, Wang N, Zhou N, Du K, Shi J, Wang Y, Zhao Z, Ye X, Zhang X, Xu H. Sulforaphane Activates a lysosome-dependent transcriptional program to mitigate oxidative stress. Autophagy. 2021 Apr;17(4):872-887. doi: 10.1080/15548627.2020.1739442. Epub 2020 Mar 15. PMID: 32138578; PMCID: PMC8078734.