MedKoo Cat#: 526622 | Name: ML337
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Description:

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

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.

Chemical Structure

ML337
ML337
CAS#1443118-44-2

Theoretical Analysis

MedKoo Cat#: 526622

Name: ML337

CAS#: 1443118-44-2

Chemical Formula: C21H20FNO3

Exact Mass: 353.1427

Molecular Weight: 353.39

Elemental Analysis: C, 71.37; H, 5.70; F, 5.38; N, 3.96; O, 13.58

Price and Availability

Size Price Availability Quantity
25mg USD 450.00 2 Weeks
50mg USD 750.00 2 Weeks
100mg USD 1,350.00 2 Weeks
200mg USD 2,150.00 2 Weeks
500mg USD 3,250.00 2 Weeks
1g USD 4,650.00 2 Weeks
2g USD 7,450.00 2 Weeks
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Related CAS #
No Data
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 353.39 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
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.