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5,6,7,8-四氢-2-氯甲基-(1)苯并噻吩(2,3-d)嘧啶-4(1H)-酮

更新时间:2025-09-27 20:06:03

5,6,7,8-四氢-2-氯甲基-(1)苯并噻吩(2,3-d)嘧啶-4(1H)-酮结构式
5,6,7,8-四氢-2-氯甲基-(1)苯并噻吩(2,3-d)嘧啶-4(1H)-酮结构式
委托求购
常用名 5,6,7,8-四氢-2-氯甲基-(1)苯并噻吩(2,3-d)嘧啶-4(1H)-酮 英文名 3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno(
CAS号 89567-03-3 分子量 254.73600
密度 1.64g/cm3 沸点 N/A
分子式 C11H11ClN2OS 熔点 N/A
MSDS N/A 闪点 N/A

 名称

中文名 5,6,7,8-四氢-2-氯甲基-(1)苯并噻吩(2,3-d)嘧啶-4(1H)-酮
英文名 2-(chloromethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
英文别名 更多

 物理化学性质

密度 1.64g/cm3
分子式 C11H11ClN2OS
分子量 254.73600
精确质量 254.02800
PSA 74.25000
LogP 3.01450
InChIKey GDHMBNWVLWMONW-UHFFFAOYSA-N
SMILES O=c1[nH]c(CCl)nc2sc3c(c12)CCCC3
折射率 1.781

 毒性和生态

 安全信息

海关编码 2934999090

 合成线路

~87%

5,6,7,8-四氢-2-氯甲基-(1)苯并噻吩(2,3-d)嘧啶-4(1H)-酮结构式

5,6,7,8-四氢-2-氯甲...

89567-03-3

文献:Jain, Kishor S.; Bariwal, Jitender B.; Phoujdar, Manisha S.; Nagras, Madhuri A.; Amrutkar, Rakesh D.; Munde, Manoj K.; Tamboli, Riyaj S.; Khedkar, Samrat A.; Khiste, Rahul H.; Vidyasagar, Nikhil C.; Dabholkar, Vinit V.; Kathiravan Journal of Heterocyclic Chemistry, 2009 , vol. 46, # 2 p. 178 - 185

~83%

5,6,7,8-四氢-2-氯甲基-(1)苯并噻吩(2,3-d)嘧啶-4(1H)-酮结构式

5,6,7,8-四氢-2-氯甲...

89567-03-3

文献:Kanwar, Seema; Sharma Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005 , vol. 44, # 11 p. 2367 - 2371

~%

5,6,7,8-四氢-2-氯甲基-(1)苯并噻吩(2,3-d)嘧啶-4(1H)-酮结构式

5,6,7,8-四氢-2-氯甲...

89567-03-3

文献:Kanwar, Seema; Sharma Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005 , vol. 44, # 11 p. 2367 - 2371

~%

5,6,7,8-四氢-2-氯甲基-(1)苯并噻吩(2,3-d)嘧啶-4(1H)-酮结构式

5,6,7,8-四氢-2-氯甲...

89567-03-3

文献:Kanwar, Seema; Sharma Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005 , vol. 44, # 11 p. 2367 - 2371

 海关

海关编码 2934999090
中文概述 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 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 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 靶点实验

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External Id:CHEMBL5234731
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来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
实验名称:Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER...
来源:ChEMBL
靶标:Severe acute respiratory syndrome coronavirus 2
External Id:CHEMBL4513082
实验名称:Hit confirmation of the active molecules of the enzymatic assay of human HDAC6 with c...
来源:ChEMBL
靶标:Histone deacetylase 6
External Id:CHEMBL4808151
实验名称:Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Cac...
来源:ChEMBL
靶标:Severe acute respiratory syndrome coronavirus 2
External Id:CHEMBL4303805
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来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
实验名称:Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 with cu...
来源:ChEMBL
靶标:Histone deacetylase 6
External Id:CHEMBL4808152
实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
实验名称:SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f...
来源:ChEMBL
靶标:Replicase polyprotein 1ab
External Id:CHEMBL4495582
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来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Chain A, Poliovirus Polymerase With Gtp
External Id:HMS750
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 英文别名

5,5-Dimethyl-2-chlormethyl-1,3-dioxan
5,5-Dimethyl-2-chlormethyl-m-dioxan
2-chloromethyl-5,5-dimethyl-1,3-dioxane
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