ChemicalBook CAS DataBase List 1646267-59-5

1646267-59-5

Name	Ethanone, 2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-1-[(2R)-2-methyl-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)-5-pyrimidinyl]-5-thiazolyl]-1-piperazinyl]-
CAS	1646267-59-5
Molecular Formula	C20H20F6N8OS
Molecular Weight	534.48
MOL File	1646267-59-5.mol

Chemical Properties

Boiling point	611.0±65.0 °C(Predicted)
density	1.60±0.1 g/cm3(Predicted)
form	Solid
pka	3.59±0.50(Predicted)
color	White to off-white

Hazard Information

Description

ACT-660602 is a Potent and Selective Antagonist of the Chemokine Receptor CXCR3 for Autoimmune Diseases. ACT-660602 led to significantly reduced recruitment of the CXCR3+ CD8+ T cell in the bronchoalveolar lavage compartment when administered orally at a dose of 30 mg/kg.

Uses

ACT-660602 is an orally active antagonist of chemokine receptor (CXCR3) with an IC50 value of 204 nM. ACT-660602 inhibits T-cell migration and shows efficacy in acute lung ingury model. ACT-660602 can be used for autoimmune diseases research[1][2].

in vivo

ACT-660602 (1 μM; 6 h) intrinsic metabolic clearance (CLint) in human, rat, mouse liver microsomes (HLM, RLM, MLM)^[1].
ACT-660602 (30 mg/kg; p.o.; once daily) displays anti-inflammatory activity and exerts efficacy in the mouse model of acute lung ingury^[1].
Range for Pharmacokinetics of ACT-660602^[1]

Animal	Route	Dose (range) (mg/kg)	C_max (range) (ng/mL)	T_max (range) (h)	AUC (range) (ng?h/mL)	F (%)	CL (range) (mL/min/kg)	V_ss (range) (L/kg)	T_1/2 (range) (h)
Dog	p.o.	2	1380	1	20000	8	1.3	1.7	14.5
	i.v.	0.5	1300-1450	0.5-2.0	10400-32000	/	0.6-3.0	1.6-1.7	6.3-
Rat	p.o.	2	1520	0.5	14000	80	1.9	1.1	7.1
	i.v.	0.5	1250-1860	0.5-1.0	11600-15641	/	1.9-1.9	0.9-1.3	5.7-8.8

Animal Model:	LPS-induced lung inflammation model (72 h post LPS challenge)^[1]
Dosage:	30 mg/kg
Administration:	Oral gavage; once daily
Result:	Significantly reduced recruitment of the CXCR3+ CD8+ T cell in the bronchoalveolar lavage compartment.

IC 50

CXCR3: 204 nM (IC₅₀)

References

[1] Meyer EA, et al. Discovery and In Vivo Evaluation of ACT-660602: A Potent and Selective Antagonist of the Chemokine Receptor CXCR3 for Autoimmune Diseases. J Med Chem. 2022 Aug 10. DOI:10.1021/acs.jmedchem.2c00675
[2] Caroff Eva, et al. Preparation of piperazinyltriazolylethanone derivatives for use as CXCR3 receptor modulators: World Intellectual Property Organization, WO2015011099. 2015-01-29.

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