Synonym
ML400; ML-400; ML 400; CID 73050863; CID-73050863; CID73050863; SID 173019983; SID-173019983; SID173019983;
IUPAC/Chemical Name
2-(4-Methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
InChi Key
CCEQOVGPLKQKET-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H29N3O/c1-28-20-12-10-19(11-13-20)23-18-24(21-8-3-4-9-22(21)26-23)25-14-7-17-27-15-5-2-6-16-27/h3-4,8-13,18H,2,5-7,14-17H2,1H3,(H,25,26)
SMILES Code
COC1=CC=C(C2=NC3=CC=CC=C3C(NCCCN4CCCCC4)=C2)C=C1
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
Biological target:
ML400 is an allosteric inhibitor of LMPTP.
In vitro activity:
This probe report describes the first (and first-in-class) selective allosteric LMPTP inhibitor, ML400 (CID 73050863, SID 173019983). ML400 is potent (EC50∼1μM), selective against other phosphatases, and displays good cell-based activity as well as rodent pharmacokinetics.
Reference: Probe Reports from the NIH Molecular Libraries Program [Internet]. 2014 Apr 15 [updated 2015 Jan 16]. https://pubmed.ncbi.nlm.nih.gov/25834896/
Preparing Stock Solutions
The following data is based on the
product
molecular weight
375.52
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 |
Formulation protocol:
Ardecky RJ, Hedrick MP, Stanford SM, Bliss MR, Zou J, Gosalia P, Yamamoto F, Milewski M, Barron N, Sun Q, Ganji S, Mehta A, Sugarman E, Nguyen K, Vasile S, Suyama E, Mangravita-Novo A, Salaniwal S, Kung P, Smith LH, Sergienko E, Chung TDY, Pinkerton AB, Bottini N. Allosteric Small Molecule Inhibitors of LMPTP. 2014 Apr 15 [updated 2015 Jan 16]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 25834896.
In vitro protocol:
Ardecky RJ, Hedrick MP, Stanford SM, Bliss MR, Zou J, Gosalia P, Yamamoto F, Milewski M, Barron N, Sun Q, Ganji S, Mehta A, Sugarman E, Nguyen K, Vasile S, Suyama E, Mangravita-Novo A, Salaniwal S, Kung P, Smith LH, Sergienko E, Chung TDY, Pinkerton AB, Bottini N. Allosteric Small Molecule Inhibitors of LMPTP. 2014 Apr 15 [updated 2015 Jan 16]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 25834896.
1: Ardecky RJ, Hedrick MP, Stanford SM, Bliss MR, Zou J, Gosalia P, Yamamoto F, Milewski M, Barron N, Sun Q, Ganji S, Mehta A, Sugarman E, Nguyen K, Vasile S, Suyama E, Mangravita-Novo A, Salaniwal S, Kung P, Smith LH, Sergienko E, Chung TDY, Pinkerton AB, Bottini N. Allosteric Small Molecule Inhibitors of LMPTP. 2014 Apr 15 [updated 2015 Jan 16]. 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/NBK280042/
PubMed PMID: 25834896.
