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5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)-

5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)- structure

CAS No.: 2097117-06-9

Chemical Name:: 5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)-

Synonyms: 5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)-;Inhibitor,P2XRs,oral,P2X7,rodent-active,Lu AF 27139,CNS-penetrant,CNS,Lu AF27139,Lu AF-27139,inhibit,P2X Receptor

CBNumber:: CB19807942

Molecular Formula:: C21H19ClF3N5O2S

Molecular Weight:: 497.92

MDL Number:

MOL File:: 2097117-06-9.mol

Last updated:2023-09-04 15:51:00

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5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)- Properties

Density	1.427±0.06 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMSO : 125 mg/mL (251.04 mM; Need ultrasonic)
pka	12.83±0.46(Predicted)

5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)- Chemical Properties,Uses,Production

Biological Activity

Lu AF27139 is a potent, selective, and orally active antagonist of P2X7 receptor (IC50s of 12 and 2.4 nM for human and rat, Kis of 22, 54, and 13 nM for mouse, human, and rat, respectively). Lu AF27139 has rodent-active and CNS-penetrant character. Lu AF27139 has the potential for the research of CNS diseases[1]. Lu AF27139 (compound 1) (10-200 nM) inhibits 100 μM BzATP-induced current in HEK293 cells stably transfected with the rat P2X7R in a dose response manner with an IC50 of 66 nM[1].Lu AF27139 (compound 1) (100 nM) inhibits 300 μM BzATPinduced current in primary rat microglia with 80% inhibition occurring at a 100 nM dose[1].Lu AF27139 (compound 1) inhibits LPS-primed and BzATP-induced IL-1β release from THP-1 cells with an IC50 of 38 ± 2.5 nM[1].Lu AF27139 (compound 1) concentration-dependently blocks IL-1β release in rat and mouse primary cortical microglia primed with LPS and induces with 1 mM BzATP with IC50’s of 38 ± 19 nM in rat and 26 ± 6 nM in mice[1]. Lu AF27139 (compound 1) (p.o.; 3, 10, and 100 mg/kg) reduces intracerebroventricular (icv) administered LPS-primed and BzATP-triggered IL-1β release in the frontal cortex of rats and mice[1].Assessment of Pharmacokinetics (PK) profile of Lu AF27139 (compound 1) in rat[1]. dose Cu, plasma (nM)a Cu, brain (nM)aCu, spinal cord (nM)a (mg/kg, po) (1 h) (2 h) (1 h)(2 h)(1 h)(2 h) T1 22.4 ± 4.2 22.8 ± 10 5.4 ± 2.6 6.4 ± 2.05.20 ± 0.8010.0 ± 2.0a: Free plasma, brain, and spinal cord concentrations of Lu AF27139 in rat were determined by the formula (Ct*fu), where Ct is the total tissue (plasma, brain, or spinal cord) drug concentration and fu is the fraction unbound in these tissues as determined by ex vivo equilibrium dialysis. Values are expressed as mean ± SEM for n = 3 animals. fu, plasma = 0.02 ± 0.00, fu, spinal cord = 0.07 ± 0.03, and fu, brain = 0.09 ± 0.03. Values are expressed as mean ± SEM for n ≥ 3 experiments.

References

[1]. Hopper AT, et al. Synthesis and Characterization of the Novel Rodent-Active and CNS-Penetrant P2X7 Receptor Antagonist Lu AF27139. J Med Chem. 2021;64(8):4891-4902.

5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)- Preparation Products And Raw materials

Raw materials

Preparation Products

5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)- Suppliers

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Supplier	Tel	Email	Country	ProdList	Advantage
ATK CHEMICAL COMPANY LIMITED	+undefined-21-51877795	ivan@atkchemical.com	China	32686	60
InvivoChem	+1-708-310-1919 +1-13798911105	sales@invivochem.cn	United States	6393	58
Nantong HI-FUTURE Biology Co., Ltd.	+undefined18051384581	sales@chemhifuture.com	China	3136	58
TargetMol Chemicals Inc.	+1-781-999-5354	support@targetmol.com	United States	19973	58
Aladdin Scientific	+1-833-552-7181	sales@aladdinsci.com	United States	52927	58
Wuhan Jingkang en Biomedical Technology Co., Ltd	+8613720134139	orders@jknbiochem.com	China	4604	58
Shanghai Lollane Biological Technology Co.,Ltd.	021-52996696，15000506266 15000506266		China	4153	55
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Supplier	Advantage
ATK CHEMICAL COMPANY LIMITED	60
InvivoChem	58
Nantong HI-FUTURE Biology Co., Ltd.	58
TargetMol Chemicals Inc.	58
Aladdin Scientific	58
Wuhan Jingkang en Biomedical Technology Co., Ltd	58
Shanghai Lollane Biological Technology Co.,Ltd.	55
ShangHai Biochempartner Co.,Ltd	62
Shanghai Chaolan Chemical Technology Center	58
Shanghai SuperLan Chemcial Technique Centre	58

5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)- Spectrum

5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)-(2097117-06-9)¹HNMR

5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)- Inhibitor,P2XRs,oral,P2X7,rodent-active,Lu AF 27139,CNS-penetrant,CNS,Lu AF27139,Lu AF-27139,inhibit,P2X Receptor 2097117-06-9