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ML 337 - ≥98%(HPLC), high purity , CAS No.1443118-44-2, Allosteric modulator of mGlu 3 receptor

COA COA
In stock
Item Number
M288840
Grouped product items
SKU Size
Availability
 Price Qty
M288840-5mg
5mg
2
$127.90
M288840-10mg
10mg
2
$206.90
M288840-25mg
25mg
2
$434.90
M288840-50mg
50mg
2
$741.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

Selective negative allosteric modulator of mGlu3receptors

View related series
Class C GPCR (248) GPCR/G Protein (3172) mGlu3 receptor Allosteric modulator (11) mGluR (176) Neuronal Signaling (3320)

Basic Description

Synonyms [2-Fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl][(3R)-3-hydroxy-1-piperidinyl]methanone | ML337 | (R)-(2-fluoro-4-((4-methoxyphenyl)ethynyl)phenyl)(3-hydroxypiperidin-1-yl)methanone
Specifications & Purity Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms Selective negative allosteric modulator of mGlu3(IC50= 593 nM). Displays no activity at mGlu1, mGlu2or mGlu4-8at concentrations up to 30μM. Brain penetrant.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type ALLOSTERIC MODULATOR
Mechanism of action Allosteric modulator of mGlu 3 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzoyl derivatives
Intermediate Tree Nodes Not available
Direct Parent 1-benzoylpiperidines
Alternative Parents N-benzoylpiperidines  2-halobenzoic acids and derivatives  Benzamides  Phenoxy compounds  Anisoles  Methoxybenzenes  Alkyl aryl ethers  Fluorobenzenes  Aryl fluorides  Vinylogous halides  Tertiary carboxylic acid amides  Secondary alcohols  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organonitrogen compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents N-benzoylpiperidine - 1-benzoylpiperidine - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - N-acyl-piperidine - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Secondary alcohol - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors Not available

Associated Targets(Human)

GRM3 Tchem Metabotropic glutamate receptor 3 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GRM3 Tchem Metabotropic glutamate receptor 3 (732 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GRM4 Tchem Metabotropic glutamate receptor 4 (2320 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GRM6 Tchem Metabotropic glutamate receptor 6 (361 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GRM1 Tchem Metabotropic glutamate receptor 1 (2309 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver microsomes (16955 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Grm2 Metabotropic glutamate receptor 2 (1326 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Grm8 Metabotropic glutamate receptor 8 (169 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Grm7 Metabotropic glutamate receptor 7 (580 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504771809
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771809
IUPAC Name [2-fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
INCHI 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
InChIKey QBCRLDPMQHPGIM-QGZVFWFLSA-N
Smiles COC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)N3CCCC(C3)O)F
Isomeric SMILES COC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)N3CCC[C@H](C3)O)F
PubChem CID 60204017
Molecular Weight 353.39

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number Certificate Type Date Item
C2304659 Certificate of Analysis Oct 31, 2022 M288840
C2304754 Certificate of Analysis Oct 31, 2022 M288840
C2304759 Certificate of Analysis Oct 31, 2022 M288840
C2304742 Certificate of Analysis Oct 31, 2022 M288840
F2518041 Certificate of Analysis Oct 31, 2022 M288840

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 35.34, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 7.07, Max Conc. mM: 20
Molecular Weight 353.400 g/mol
XLogP3 3.300
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 353.143 Da
Monoisotopic Mass 353.143 Da
Topological Polar Surface Area 49.800 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 546.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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