ChemicalBook CAS DataBase List 1515855-97-6

1515855-97-6

Name	JJKK 048
CAS	1515855-97-6
Molecular Formula	C23H22N4O5
Molecular Weight	434.44
MOL File	1515855-97-6.mol

Chemical Properties

Boiling point	615.9±65.0 °C(Predicted)
density	1.52±0.1 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	Soluble to 100 mM in DMSO
form	Powder
pka	1.70±0.10(Predicted)
color	White to off-white
InChI	1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2
InChIKey	CLSNATLUIXZPMV-UHFFFAOYSA-N
SMILES	O=C(N1N=CN=C1)N2CCC(C(C3=CC(OCO4)=C4C=C3)C5=CC=C(OCO6)C6=C5)CC2

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H315-H319
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Hazard Information

Uses

JJKK 048 inhibits monoacylglycerol lipase by terminating signaling pathway of 2-arachidonoylglycerol in mouse brain and human melanoma cell proteome. JJKK 048 can be classified as a MAGL inhibitor that has therapeutic potential for the treatment of cancers.

Biological Activity

JJKK-048 is a cell penetrant ultrapotent and highly selective inhibitor of monoacylglycerol lipase (MAGL) th at exhibits a low cross-reactivity with other endocannabinoid targets. JJKK-048 is an irreversible inhibitor th at binds to the active site S122.

in vivo

JJKK 048 (0.1-4 mg/kg; i.p.; single dose; acute administration) potently inhibits MAGL and elevates brain 2-Arachidonoylglycerol (2-AG) (HY-W011051) levels in male C57Bl/6J mice^[2].
JJKK 048 (0.5-2 mg/kg; i.p.; single dose; acute administration) inhibits MAGL in peripheral tissues (liver, spleen, heart, and skeletal muscle) with some off - target effects in mouse^[2].
JJKK 048 (0.5 mg/kg; i.p.; single dose; acute administration) promotes significant analgesia in a writhing test in male Albino Swiss mice without causing cannabimimetic side effects^[2].
JJKK 048 (1-2 mg/kg; i.p.; single dose; acute administration) induces analgesia both in the writhing test and in the tail - immersion test, as well as hypomotility and hyperthermia, but not catalepsy in male Albino Swiss mice^[2].

Animal Model:	Male C57Bl/6J mice (8 weeks old, weight 20-26 g)^[2]
Dosage:	0.1 mg/kg, 0.5 mg/kg, 1 mg/kg, 2 mg/kg, 4 mg/kg, (dissolved in 5% (v/v) dimethylsulfoxide (DMSO) in gently heated 10% (w/v) HP-β-CD (HY-101103))
Administration:	i.p., single dose
Result:	Revealed a dose-dependent blockade of MAGL in the brain. Increased brain 2-AG levels in a dose-dependent manner, while brain AEA levels remained unaffected.

Animal Model:	Male Albino Swiss mice (weight 20-30 g), tetrad test model for cannabimimetic effects^[2]
Dosage:	0.5 mg/kg, 1 mg/kg, 2 mg/kg (dissolved in 5% (v/v) DMSO in gently heated 10% (w/v) HP-β-CD (HY-101103))
Administration:	i.p., single dose
Result:	Caused significant reduction in the writhing episodes of mice in the writhing test, indicating an antinociceptive effect.

storage

Store at -20°C

Spectrum Detail

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