6-(4-氟苯基)-5-(4-吡啶基)-2,3-二氢咪唑并[2,1-B]-噻唑

更新时间：2025-08-21 21:13:04

6-(4-氟苯基)-5-(4-吡啶基)-2,3-二氢咪唑并[2,1-B]-噻唑结构式	常用名	6-(4-氟苯基)-5-(4-吡啶基)-2,3-二氢咪唑并[2,1-B]-噻唑	英文名	SKF 86002
	CAS号	72873-74-6	分子量	297.350
	密度	1.4±0.1 g/cm3	沸点	476.1±55.0 °C at 760 mmHg
	分子式	C₁₆H₁₂FN₃S	熔点	189-190ºC(lit.)
	MSDS	美版	闪点	241.7±31.5 °C

用途

SKF-86002是p38MAPK抑制剂,IC50值为0.5-1uM。

中文名	6-(4-氟苯基)-5-(4-吡啶基)-2,3-二氢咪唑并[2,1-b]-噻唑
英文名	6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole
英文别名	更多

描述	SKF-86002是p38MAPK抑制剂,IC50值为0.5-1uM。
相关类别	信号通路 >> MAPK/ERK信号通路 >> p38 MAPK 研究领域 >> 炎症/免疫
参考文献	[1]. Griswold DE, et al. SK&F 86002: a structurally novel anti-inflammatory agent that inhibits lipoxygenase- and cyclooxygenase-mediated metabolism of arachidonic acid. Biochem Pharmacol. 1987 Oct 15;36(20):3463-70. [2]. Frasch SC, et al. p38 mitogen-activated protein kinase-dependent and -independent intracellular signal transduction pathways leading to apoptosis in human neutrophils. J Biol Chem. 1998 Apr 3;273(14):8389-97. [3]. Nick JA, et al. Common and distinct intracellular signaling pathways in human neutrophils utilized by platelet activating factor and FMLP. J Clin Invest. 1997 Mar 1;99(5):975-86.

描述

SKF-86002是p38MAPK抑制剂,IC50值为0.5-1uM。

相关类别

信号通路 >> MAPK/ERK信号通路 >> p38 MAPK

研究领域 >> 炎症/免疫

参考文献

[1]. Griswold DE, et al. SK&F 86002: a structurally novel anti-inflammatory agent that inhibits lipoxygenase- and cyclooxygenase-mediated metabolism of arachidonic acid. Biochem Pharmacol. 1987 Oct 15;36(20):3463-70.

[2]. Frasch SC, et al. p38 mitogen-activated protein kinase-dependent and -independent intracellular signal transduction pathways leading to apoptosis in human neutrophils. J Biol Chem. 1998 Apr 3;273(14):8389-97.

[3]. Nick JA, et al. Common and distinct intracellular signaling pathways in human neutrophils utilized by platelet activating factor and FMLP. J Clin Invest. 1997 Mar 1;99(5):975-86.

密度	1.4±0.1 g/cm3
沸点	476.1±55.0 °C at 760 mmHg
熔点	189-190ºC(lit.)
分子式	C₁₆H₁₂FN₃S
分子量	297.350
闪点	241.7±31.5 °C
精确质量	297.073608
PSA	56.01000
LogP	1.90
InChIKey	YOELZIQOLWZLQC-UHFFFAOYSA-N
SMILES	Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1
蒸汽压	0.0±1.2 mmHg at 25°C
折射率	1.713
储存条件	存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。2-8 ºC保存。
稳定性	指定条件下稳定，远离氧化物，避光保存。
分子结构	1、摩尔折射率：83.83 2、摩尔体积（m³/mol）：213.7 3、等张比容（90.2K）：576.2 4、表面张力（dyne/cm）：52.8 5、极化率（10^-24cm³）：33.23
计算化学	1.疏水参数计算参考值（XlogP）:2.9 2.氢键供体数量:0 3.氢键受体数量:4 4.可旋转化学键数量:2 5.互变异构体数量:无 6.拓扑分子极性表面积56 7.重原子数量:21 8.表面电荷:0 9.复杂度:355 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1
更多	1. 性状：类白色固体。 2. 密度（g/mL,25/4℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：189-190 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：未确定 8. 闪点（ºC）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,25ºC）：未确定 12. 饱和蒸气压（kPa,60ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：未确定。

生态学数据:

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

毒性英文版

个人防护装备	dust mask type N95 (US);Eyeshields;Gloves
危害码 (欧洲)	Xi: Irritant;
风险声明 (欧洲)	36/37/38
安全声明 (欧洲)	26-36
危险品运输编码	NONH for all modes of transport
海关编码	2934100090

5-(N-ethoxycarb...

106465-75-2

~92%

6-(4-氟苯基)-5-(4-...

72873-74-6

文献：Lantos, Ivan; Gombatz, Kerry; McGuire, Michael; Pridgen, Lendon; Remich, James; Shilcrat, Susan Journal of Organic Chemistry, 1988 , vol. 53, # 18 p. 4223 - 4227

1-(4-fluorophen...

87532-41-0

6-(4-氟苯基)-5-(4-...

72873-74-6

文献：Lantos, I.; Bender, P. E.; Razgaitis, K. A.; Sutton, B. M.; DiMartino, M. J.; et al. Journal of Medicinal Chemistry, 1984 , vol. 27, # 1 p. 72 - 75

吡啶

110-86-1

6-(4-氟苯基)-5-(4-...

72873-74-6

文献：Lantos, Ivan; Gombatz, Kerry; McGuire, Michael; Pridgen, Lendon; Remich, James; Shilcrat, Susan Journal of Organic Chemistry, 1988 , vol. 53, # 18 p. 4223 - 4227

4-(4-fluorophen...

72882-75-8

1,2-二溴乙烷

106-93-4

6-(4-氟苯基)-5-(4-...

72873-74-6

5-(4-fluorophen...

72873-75-7

文献：Lantos, I.; Bender, P. E.; Razgaitis, K. A.; Sutton, B. M.; DiMartino, M. J.; et al. Journal of Medicinal Chemistry, 1984 , vol. 27, # 1 p. 72 - 75

上游产品 5
CAS号106465-75-2 5-(N-ethoxycarb... CAS号87532-41-0 1-(4-fluorophen... CAS号110-86-1 吡啶 CAS号72882-75-8 4-(4-fluorophen...
CAS号106-93-4 1,2-二溴乙烷
下游产品 1
CAS号72873-77-9 6-(4-fluorophen...

海关编码	2934100090
中文概述	2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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来源：NCGC
External Id：APP-Toga-CHIKV-nsp2-p

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来源：ChEMBL
靶标：Mitogen-activated protein kinase 11
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靶标：Mitogen-activated protein kinase 11
External Id：CHEMBL732614

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来源：ChEMBL
靶标：Mitogen-activated protein kinase 11
External Id：CHEMBL732613

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来源：ChEMBL
靶标：Mitogen-activated protein kinase 14
External Id：CHEMBL732624

实验名称：D3R2021 from Article : "Drug Design Data Resource Grand Challenge 3 Dataset: VEGFR2"
来源：BindingDB
靶标：N/A
External Id：BindingDB_11026_1

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来源：ChEMBL
靶标：5'-AMP-activated protein kinase catalytic subunit alpha-1
External Id：CHEMBL2219380

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来源：ChEMBL
靶标：NUAK family SNF1-like kinase 1
External Id：CHEMBL2219381

实验名称：Millipore: Percentage of residual kinase activity of PRKAA1 at 10uM relative to contr...
来源：ChEMBL
靶标：5'-AMP-activated protein kinase catalytic subunit alpha-1
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