Synonym
ML358; ML-358; ML 358;
IUPAC/Chemical Name
N-[[3-Chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine hydrochloride
InChi Key
ZAMVVVGRBNNUSR-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H25Cl2NO2.ClH/c1-2-25-20-12-16(13-24-18-5-3-4-6-18)11-19(23)21(20)26-14-15-7-9-17(22)10-8-15;/h7-12,18,24H,2-6,13-14H2,1H3;1H
SMILES Code
CCOC1=C(OCC2=CC=C(Cl)C=C2)C(Cl)=CC(CNC3CCCC3)=C1.[H]Cl
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
430.79
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: Peddibhotla S, Fontaine P, Leung CK, Maloney P, Hershberger PM, Wang Y, Bousquet MS, Luesch H, Mangravita-Novo A, Pinkerton AB, Smith LH, Malany S, Choe K. Discovery of ML358, a Selective Small Molecule Inhibitor of the SKN-1 Pathway Involved in Drug Detoxification and Resistance in Nematodes. ACS Chem Biol. 2015 Aug 21;10(8):1871-9. doi: 10.1021/acschembio.5b00304. Epub 2015 May 22. PubMed PMID: 25946346.
2: Peddibhotla S, Leung CK, Maloney P, Hershberger PM, Nguyen K, Vasile S, Suyama E, Kane A, Bousquet MS, Leusch H, Stonich D, Mangravita-Novo A, Salaniwal S, Kung P, Diwan J, Smith LH, Chung TDY, Pinkerton AB, Malany S, Choe K. A high throughput screen for inhibitors of nematode detoxification genes. 2013 Apr 11 [updated 2014 Jan 13]. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK246990/ PubMed PMID: 25299039.
