WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 526622
CAS#: 1443118-44-2
Description: ML337 is a highly selective mGlu3 NAMs with submicromolar potency and good CNS penetration. ML337 resulted (mGlu3 IC50 = 593 nM, mGlu2 IC50 >30 μM) with B:P ratios of 0.92 (mouse) to 0.3 (rat). ML337 possesses favorable physiochemical properties, a good dystrophia myotonica protein kinase (DMPK) profile and is centrally penetrant. Thus, ML337 is a best-in-class in vitro and in vivo probe for studying non-competitive antagonism of mGlu3.
MedKoo Cat#: 526622
Name: ML337
CAS#: 1443118-44-2
Chemical Formula: C21H20FNO3
Exact Mass: 353.1427
Molecular Weight: 353.3934
Elemental Analysis: C, 71.37; H, 5.70; F, 5.38; N, 3.96; O, 13.58
Synonym: ML-337; ML 337; ML337.
IUPAC/Chemical Name: (R)-(2-fluoro-4-((4-methoxyphenyl)ethynyl)phenyl)(3-hydroxypiperidin-1-yl)methanone
InChi Key: QBCRLDPMQHPGIM-QGZVFWFLSA-N
InChi Code: InChI=1S/C21H20FNO3/c1-26-18-9-6-15(7-10-18)4-5-16-8-11-19(20(22)13-16)21(25)23-12-2-3-17(24)14-23/h6-11,13,17,24H,2-3,12,14H2,1H3/t17-/m1/s1
SMILES Code: O=C(C1=CC=C(C#CC2=CC=C(OC)C=C2)C=C1F)N3C[C@H](O)CCC3
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: Soluble in DMSO, not in water
Shelf Life: >2 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: 2934.99.9001
The following data is based on the product molecular weight 353.3934 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: Wenthur C, Daniels JS, Morrison R, Engers JL, Niswender CM, Conn PJ, Lindsley
CW. Development of a Second Generation mGlu(3) NAM Probe. 2012 Dec 10 [updated
2013 Mar 22]. 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/NBK148852/
PubMed PMID: 23885366.
2: Wenthur CJ, Morrison R, Felts AS, Smith KA, Engers JL, Byers FW, Daniels JS,
Emmitte KA, Conn PJ, Lindsley CW. Discovery of
(R)-(2-fluoro-4-((-4-methoxyphenyl)ethynyl)phenyl)
(3-hydroxypiperidin-1-yl)methanone (ML337), an mGlu3 selective and CNS penetrant
negative allosteric modulator (NAM). J Med Chem. 2013 Jun 27;56(12):5208-12. doi:
10.1021/jm400439t. Epub 2013 Jun 13. PubMed PMID: 23718281; PubMed Central PMCID:
PMC3769689.
