N,N''-1,4-丁烷二基双[N'-(3-异异硫氰基苯基)硫脲

更新时间：2025-11-26 06:13:49

N,N''-1,4-丁烷二基双[N'-(3-异异硫氰基苯基)硫脲结构式	常用名	N,N''-1,4-丁烷二基双[N'-(3-异异硫氰基苯基)硫脲	英文名	MRS 2578
	CAS号	711019-86-2	分子量	472.673
	密度	1.3±0.1 g/cm3	沸点	652.7±65.0 °C at 760 mmHg
	分子式	C₂₀H₂₀N₆S₄	熔点	N/A
	MSDS	美版	闪点	348.5±34.3 °C
	符号	GHS06, GHS08	信号词	Danger

用途

MRS2578是P2Y6受体拮抗剂,IC50为37 nM,对P2Y1,P2Y2,P2Y4和P2Y11受体的抑制性较弱。

中文名	N,N''-1,4-丁烷二基双[N'-(3-异异硫氰基苯基)硫脲
英文名	1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea
英文别名	更多

描述	MRS2578是P2Y6受体拮抗剂,IC50为37 nM,对P2Y1,P2Y2,P2Y4和P2Y11受体的抑制性较弱。
相关类别	信号通路 >> G 蛋白偶联受体/G 蛋白 >> P2Y受体研究领域 >> 心血管疾病
参考文献	[1]. Mamedova LK, et al. Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors. Biochem Pharmacol, 2004, 67(9), 1763-1770. [2]. Riegel AK, et al. Selective induction of endothelial P2Y6 nucleotide receptor promotes vascular inflammation. Blood, 2011, 117(8), 2548-2555. [3]. Vieira RP, et al. Purinergic receptor type 6 contributes to airway inflammation and remodeling in experimental allergic airway inflammation. Am J Respir Crit Care Med, 2011, 184(2), 215-223.

描述

MRS2578是P2Y6受体拮抗剂,IC50为37 nM,对P2Y1,P2Y2,P2Y4和P2Y11受体的抑制性较弱。

相关类别

信号通路 >> G 蛋白偶联受体/G 蛋白 >> P2Y受体

研究领域 >> 心血管疾病

参考文献

[1]. Mamedova LK, et al. Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors. Biochem Pharmacol, 2004, 67(9), 1763-1770.

[2]. Riegel AK, et al. Selective induction of endothelial P2Y6 nucleotide receptor promotes vascular inflammation. Blood, 2011, 117(8), 2548-2555.

[3]. Vieira RP, et al. Purinergic receptor type 6 contributes to airway inflammation and remodeling in experimental allergic airway inflammation. Am J Respir Crit Care Med, 2011, 184(2), 215-223.

密度	1.3±0.1 g/cm3
沸点	652.7±65.0 °C at 760 mmHg
分子式	C₂₀H₂₀N₆S₄
分子量	472.673
闪点	348.5±34.3 °C
精确质量	472.063232
PSA	201.20000
LogP	5.10
InChIKey	QOHNRGHTJPFMSL-UHFFFAOYSA-N
SMILES	S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1
外观性状	白色固体
蒸汽压	0.0±2.0 mmHg at 25°C
折射率	1.687
储存条件	2-8°C
水溶解性	DMSO: ~17 mg/mL

MSDS英文版

符号	GHS06, GHS08
信号词	Danger
危害声明	H301-H312 + H332-H315-H319-H334-H335
警示性声明	P261-P284-P301 + P310 + P330-P302 + P352 + P312-P304 + P340 + P312-P342 + P311
个人防护装备	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
危害码 (欧洲)	Xn
风险声明 (欧洲)	20/21/22-36/37/38-42
安全声明 (欧洲)	22-26-36/37/39-45
危险品运输编码	UN 2811
WGK德国	3

Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors.

Biochem. Pharmacol. 67 , 1763-1770, (2004)

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1,1'-(1,4-Butanediyl)bis[3-(3-isothiocyanatophenyl)(thiourea)]

Thiourea, N,N''-1,4-butanediylbis[N'-(3-isothiocyanatophenyl)-

MRS 2578

MRS2578