| Identification | Back Directory | [Name]
N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide | [CAS]
1627138-52-6 | [Synonyms]
ML380
N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide | [Molecular Formula]
C23H25F3N4O3S | [MDL Number]
MFCD28386214 | [MOL File]
1627138-52-6.mol | [Molecular Weight]
494.53 |
| Chemical Properties | Back Directory | [Boiling point ]
661.2±65.0 °C(Predicted) | [density ]
1.388±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 100 mg/mL (202.21 mM) | [form ]
Solid | [pka]
12.84±0.40(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
ML380 is a potent, subtype-selective, and brain-penetrant positive allosteric modulator (PAM) of M5 mAChR, with EC50s of 190 and 610 nM for human and rat M5, respectively. ML380 exhibits moderate selectivity versus the M1 and M3 mAChR subtypes. ML380 could increase the affinity of ACh for the M5 mAChR[1][2][3]. | [Biological Activity]
ML380 is a potent, isotype-selective and blood-brain barrier-permeable positive allosteric modulator (PAM) of M5 mAChR with EC50 values of 190 and 610 nM for human and rat M5, respectively. | [in vivo]
ML380 (1 mg/kg; iv) displays high clearance (66 mL/min/kg), a moderate volume of distribution (1.6 L/kg), and a short half-life (t 1/2 , 22 min) in rats. | [target]
IC50: 190 nM (hM5), 610 nM (rM5) | [storage]
Store at -20°C | [References]
[1] Gentry PR, et, al. Development of a highly potent, novel M5 positive allosteric modulator (PAM) demonstrating CNS exposure: 1-((1H-indazol-5-yl)sulfoneyl)-N-ethyl-N-(2-(trifluoromethyl)benzyl)piperidine-4-carboxamide (ML380). J Med Chem. 2014 Sep 25;57(18 DOI:10.1021/jm500995y
[2] Berizzi AE, et, al. Molecular Mechanisms of Action of M5 Muscarinic Acetylcholine Receptor Allosteric Modulators. Mol Pharmacol. 2016 Oct;90(4):427-36. DOI:10.1124/mol.116.104182
[3] Berizzi AE, et, al. Structure-Activity Relationships of Pan-Gα q/11 Coupled Muscarinic Acetylcholine Receptor Positive Allosteric Modulators. ACS Chem Neurosci. 2018 Jul 18;9(7):1818-1828. DOI:10.1021/acschemneuro.8b00136 |
|
|