| Identification | Back Directory | [Name]
5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-ethyl-1-piperazinyl)-4-fluoro- | [CAS]
2369979-68-8 | [Synonyms]
8-chloro-11-(4-ethyl-1-piperazinyl)-4-fluoro-5H-Dibenzo[b,e][1,4]diazepine
5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-ethyl-1-piperazinyl)-4-fluoro- | [Molecular Formula]
C19H20ClFN4 | [MDL Number]
MFCD34167517 | [MOL File]
2369979-68-8.mol | [Molecular Weight]
358.84 |
| Chemical Properties | Back Directory | [Boiling point ]
493.0±55.0 °C(Predicted) | [density ]
1.34±0.1 g/cm3(Predicted) | [storage temp. ]
Store at RT | [solubility ]
DMSO|17.94|50| | [form ]
solid | [pka]
7.63±0.10(Predicted) | [color ]
Yellow | [InChI]
1S/C19H20ClFN4/c1-2-24-8-10-25(11-9-24)19-14-4-3-5-15(21)18(14)22-16-7-6-13(20)12-17(16)23-19/h3-7,12,22H,2,8-11H2,1H3 | [InChIKey]
SWSCWOSASZXIRK-UHFFFAOYSA-N | [SMILES]
Fc1c2c(ccc1)C(=Nc4c(ccc(c4)Cl)N2)N3CCN(CC3)CC |
| Hazard Information | Back Directory | [Uses]
JHU37160 is a potent and brain-penetrant DREADD agonist, with EC50s of 18.5?nM and 0.2?nM for hM3Dq and hM4Di DREADDs in HEK-293 cells, respectively. JHU37160 exhibits selective [3H]Clozapine displacement from DREADDs and not from other Clozapine-binding sites in mice brain tissue[1]. | [Biological Activity]
JHU37160 (J60) is a potent DREADDs (Designer Receptors Exclusively Activated by Designer Drugs) ligand (hM3Dq/hM4Di Ki = 1.9/3.6 nM using mouse brain tissue18.5/0.2 nM by celluar BRET assays) with ~25-fold improved affinity than C21 and high in vivo potency for CNS applications. J60 selectively competes against clozapine at DREADDsbut not other clozapine-binding sites in mouse brain tissue ex vivo (10 nM)increases hM3Dq-stimulated locomotion in TH-hM3Dq rats (0.01-0.3 mg/kg i.p.) and selectively inhibits locomotor activity of D1-hM3Dq and D1-hM4Di transgenicbut not wild-typemice (0.01-1 mg/kg i.p.). | [in vivo]
JHU37160 (0.1 mg/kg; i.p.) exhibits high DREADD occupancy in mice and rats[1].
JHU37160 (0.01-1 mg/kg; i.p.) selectively inhibits locomotor activity in D1-hM3Dq and D1-hM4Di mice without any significant locomotor effects observed in WT mice[1]. | [IC 50]
mAChR3; mAChR4 | [storage]
Room temperature | [References]
[1] Bonaventura J, et, al. High-potency ligands for DREADD imaging and activation in rodents and monkeys. Nat Commun. 2019 Oct 11;10(1):4627. DOI:10.1038/s41467-019-12236-z |
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