MAGL Inhibitor Compound 23
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MedKoo CAT#: 574192

CAS#: 2324160-91-8

Description: MAGL Inhibitor Compound 23 is an inhibitor of monoacylglycerol lipase (MAGL). It is selective for MAGL over cannabinoid receptor 1 (CB1), CB2, fatty acid amide hydrolase (FAAH), α/β-hydrolase domain-containing protein 6 (ABHD6), and ABHD12. MAGL inhibitor compound 23 inhibits the growth of HCT116, MDA-MB-231, Caov-3, OVCAR-3, and SKOV3 cells but not MRC5 cells. It increases the levels of 2-arachidonoyl glycerol (2-AG) in mouse brain and plasma when administered at a dose of 50 mg/kg.

Chemical Structure

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MAGL Inhibitor Compound 23
CAS# 2324160-91-8
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 574192
Name: MAGL Inhibitor Compound 23
CAS#: 2324160-91-8
Chemical Formula: C22H24FNO3
Exact Mass: 369.17
Molecular Weight: 369.436
Elemental Analysis: C, 71.53; H, 6.55; F, 5.14; N, 3.79; O, 12.99

Price and Availability

Size Price Availability Quantity
10mg USD 295 2 weeks
25mg USD 585 2 weeks
50mg USD 850 2 weeks
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Synonym: MAGL Inhibitor Compound 23; MAGL-IN-1

IUPAC/Chemical Name: (1-(2-fluoro-5-hydroxybenzoyl)piperidin-4-yl)(4-isopropylphenyl)methanone

InChi Key: WUUBZNFATQKRPH-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H24FNO3/c1-14(2)15-3-5-16(6-4-15)21(26)17-9-11-24(12-10-17)22(27)19-13-18(25)7-8-20(19)23/h3-8,13-14,17,25H,9-12H2,1-2H3

SMILES Code: CC(C)C1=CC=C(C(C2CCN(C(C3=CC(O)=CC=C3F)=O)CC2)=O)C=C1

Appearance: Solid powder

Purity: >95% (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: 2934.99.9001

More Info:

Product Data:
Product Data
Instruction:
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Biological target: MAGL-IN-1 is a potent, selective, reversible and competitive inhibitor of MAGL, with an IC50 of 80 nM. MAGL-IN-1 exhibits anti-proliferative effects against human breast, colorectal, and ovarian cancer cells.
In vitro activity: In the present study, structural optimization of a previously developed class of MAGL inhibitors led to the identification of compound 23, which proved to be a very potent reversible MAGL inhibitor (IC50 = 80 nM), selective for MAGL over the other main components of the endocannabinoid system, endowed of a promising antiproliferative activity in a series of cancer cell lines and able to block MAGL both in cell-based as well as in vivo assays. Reference: J Med Chem. 2019 Feb 28;62(4):1932-1958. https://pubmed.ncbi.nlm.nih.gov/30715876/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 25.0 67.67
DMF:PBS (pH 7.2) (1:6) 0.1 0.38
DMSO 41.3 111.66
Ethanol 2.5 6.77

Preparing Stock Solutions

The following data is based on the product molecular weight 369.44 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
Formulation protocol: 1. Granchi C, Lapillo M, Glasmacher S, Bononi G, Licari C, Poli G, El Boustani M, Caligiuri I, Rizzolio F, Gertsch J, Macchia M, Minutolo F, Tuccinardi T, Chicca A. Optimization of a Benzoylpiperidine Class Identifies a Highly Potent and Selective Reversible Monoacylglycerol Lipase (MAGL) Inhibitor. J Med Chem. 2019 Feb 28;62(4):1932-1958. doi: 10.1021/acs.jmedchem.8b01483. Epub 2019 Feb 11. PMID: 30715876.
In vitro protocol: 1. Granchi C, Lapillo M, Glasmacher S, Bononi G, Licari C, Poli G, El Boustani M, Caligiuri I, Rizzolio F, Gertsch J, Macchia M, Minutolo F, Tuccinardi T, Chicca A. Optimization of a Benzoylpiperidine Class Identifies a Highly Potent and Selective Reversible Monoacylglycerol Lipase (MAGL) Inhibitor. J Med Chem. 2019 Feb 28;62(4):1932-1958. doi: 10.1021/acs.jmedchem.8b01483. Epub 2019 Feb 11. PMID: 30715876.
In vivo protocol: TBD

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1. Granchi, C., Lapillo, M., Glasmacher, S., et al. Optimization of a benzoylpiperidine class identifies a highly potent and selective reversible monoacylglycerol lipase (MAGL) inhibitor. J. Med. Chem. 62(4), 1932-1958 (2019).