ML-SI3
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 556041

CAS#: 891016-02-7

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.


Chemical Structure

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ML-SI3
CAS# 891016-02-7

Theoretical Analysis

MedKoo Cat#: 556041
Name: ML-SI3
CAS#: 891016-02-7
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

Price and Availability

Size Price Availability Quantity
50.0mg USD 450.0 2 Weeks
100.0mg USD 750.0 2 Weeks
200.0mg USD 1350.0 2 Weeks
500.0mg USD 2650.0 2 Weeks
1.0g USD 3650.0 2 Weeks
2.0g USD 5950.0 2 Weeks
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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

Preparing Stock Solutions

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.

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

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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.

ML-SI3

50.0mg / USD 450.0