|3-乙基-6-(4-羟基哌啶-1-羰基)-5-甲基-1-(3,3,3-三氟丙基)噻吩并[2,3-d]嘧啶-2,4(1H,3H)-二酮|CsnPharm

CAS No.: 1699717-32-2

BAY-545 Catalog No. CSN23897

Synonyms: 3-Ethyl-6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

BAY-545 is a structure-optimizd adenosine receptor A2B antagonist with IC50 value of of 59 nM.

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靶点选择性

生物活性

实验方案

技术信息

生物活性

描述The A2B adenosine receptor is a G protein-coupled receptor that belongs to the four member family of adenosine receptors: A1, A2A, A2B, A3. The activity of the A2B adenosine receptor is mediated by G proteins which activate adenylyl cyclase, and it stimulates adenylate cyclase activity in the presence of adenosine. This protein also interacts with netrin-1, which is involved in axon elongation. BAY -545 is a potent and selective A2B adenosine receptor antagonist. In a high-throughput screening procedure measuring clytin luminescence, the IC50 of BAY-545 against human A2B adenosine receptor was 59 nM. According to alternative radioligand displacement assays, BAY-545 exhibited IC50s of 66, 400, 280 nM for human, mouse, rat A2B adenosine receptor in cells, respectively, and a Ki of 97 nM for human A2B adenosine receptor, with more selectivity over A1, A2A, and A3 adenosine receptors^[2]. In ELISA assay to measure the release of IL-6 from human fibroblast LL29 cells incubated with BAY-545 for 24h, it was reported that BAY-545 inhibited NECA induced release of IL-6 with an IC50 of 185 nM ^[2]. In a FITC-induced pulmonary fibrosis model in mice, BAY-545 orally administrated at 100 or 500 mg/kg twice a day for 3 days significantly reduced Osteopontin in bronchoalveolar lavage fluid (BALF) compared to placebo group, and BAY-545 at the dose of 500 mg/kg significantly reduced relative lung weight, IL-6 level in the lung tissue homogenate and cell counts in BALF compared to placebo. In a silica-induced pulmonary fibrosis model in mice, BAY-545 orally administrated at 100 or 500 mg/kg twice a day for 7 days significantly reduced TGF-β1 level in the lung tissue homogenate compared to placebo group, and BAY-545 at the dose of 500 mg/kg significantly reduced relative lung weight compared to placebo^[2].

动物研究

剂量

Mice: 100 mg/kg - 500 mg/kg^[2] (p.o.)

给药途径

p.o.

动物药代数据

Animal	Mice^[2]	Rats^[2]	Dogs^[2]
Dose	0.3 mg/kg (i.v.) 1 mg/kg (p.o.)	0.3 mg/kg (i.v.) 1 mg/kg (p.o.)	0.3 mg/kg (i.v.) 1 mg/kg (p.o.)
Administration	i.v. p.o.	i.v. p.o.	i.v. p.o.
MRT	0.65 h (i.v.) 1.2 h (p.o.)	1.3 h (i.v.) 2.0 h (p.o.)	1.3 h (i.v.) 4.4 h (p.o.)
F	65% (p.o.)	88% (p.o.)	79% (p.o.)
T_1/2	1.2 h (i.v.) 2.1 h (p.o.)	1.4 h (i.v.) 1.4 h (p.o.)	1.4 h (i.v.) 5.1 h (p.o.)
AUC_norm	1.6 kg·h/L (i.v.) 1.0 kg·h/L (p.o.)	0.78 kg·h/L (i.v.) 1.0 kg·h/L (p.o.)	2.5 kg·h/L (i.v.) 2.0 kg·h/L (p.o.)
CL	0.61 L/h/kg (i.v.)	1.1 L/h/kg (i.v.)	0.4 L/h/kg (i.v.)
C_{max, norm}	1.2 kg/L (p.o.)	0.33 kg/L (p.o.)	0.61 kg/L (p.o.)
Vss	0.4 L/kg (i.v.)	1.5 L/kg (i.v.)	2.0 L/kg (i.v.)

参考文献

[1] Härter M, Kalthof B, et al. Novel non-xanthine antagonist of the A2B adenosine receptor: From HTS hit to lead structure. Eur J Med Chem. 2019 Feb 1;163:763-778.
[2] Härter M, Kalthof B, Delbeck M, Lustig K, Gerisch M, Schulz S, Kast R, Meibom D, Lindner N. Novel non-xanthine antagonist of the A2B adenosine receptor: From HTS hit to lead structure. Eur J Med Chem. 2019 Feb 1;163:763-778.

实验方案

计算器摩尔计算器总药量计算器工作液计算器
储存液制备
- 1 mg
- 5 mg
- 10 mg
- 1 mM
- 2.3071 mL
- 11.5354 mL
- 23.0707 mL
- 5 mM
- 0.4614 mL
- 2.3071 mL
- 4.6141 mL
- 10 mM
- 0.2307 mL
- 1.1535 mL
- 2.3071 mL

技术信息

CAS号

1699717-32-2

储存条件

粉末: Keep in dark place,Sealed in dry,Store in freezer, under -20°C

液体: -20°C:3-6 月 -80°C:12月

分子式

C18H22F3N3O4S

运输

蓝冰

分子量

433.45

别名

3-Ethyl-6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

溶解度

DMSO	125.0 mg/mL (288.4 mM)
Water	insoluble

动物实验配方

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