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1446817-84-0

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1446817-84-0 Structure

1446817-84-0 Structure
IdentificationBack Directory
[Name]

ABX-1431
[CAS]

1446817-84-0
[Synonyms]

CS-2856
ABX-1431
ABX1431;ABX 1431
1-Piperazinecarboxylic acid, 4-[[2-(1-pyrrolidinyl)-4-(trifluoromethyl)phenyl]methyl]-, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
[Molecular Formula]

C20H22F9N3O2
[MDL Number]

MFCD31735112
[MOL File]

1446817-84-0.mol
[Molecular Weight]

507.39
Chemical PropertiesBack Directory
[storage temp. ]

-20°C
[solubility ]

Soluble in DMSO (>25 mg/ml)
[form ]

solid
[color ]

White
[Stability:]

Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month.
[InChI]

InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
[InChIKey]

SQZJGTOZFRNWCX-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C(F)(F)F)C(F)(F)F)=O)CCN(CC2=CC=C(C(F)(F)F)C=C2N2CCCC2)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

ABX-1431 (1446817-84-0) is a potent (IC50 = 14 nM in vitro, 2.2 nM in human PC3 cells) and very selective (>100-fold over hABHD6, >200-fold over hPLA2G7) inhibitor of monoacylglycerol lipase (MAGL).1 Active in a rat formalin pain test at 3mg/kg. Orally bioavailable and CNS penetrant.
[Uses]

Elcubragistat (ABX-1431) is a highly potent, selective, and orally available, CNS-penetrant monoacylglycerol lipase (MAGL) inhibitor with an IC50 of 14 nM.
[Preparation]

Synthesis route for ABX-1431:
Synthesis of ABX-1431
[in vivo]

Elcubragistat (ABX-1431) inhibits MGLL activity in rodent brain (ED50=0.5-1.4 mg/kg), increases brain 2-AG concentrations, and suppresses pain behavior in the rat formalin pain model[1].

[References]

1) Cisar et al. (2018), Identification of ABX-1431, a Selective Inhibitor of Monoacylglycerol Lipase and Clinical Candidate for Treatment of Neurological Disorders; J. Med. Chem., 61 9062
Spectrum DetailBack Directory
[Spectrum Detail]

ABX-1431(1446817-84-0)1HNMR
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