1-异丙基1,2,3-苯并三唑-5-羧酸结构式
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常用名 | 1-异丙基1,2,3-苯并三唑-5-羧酸 | 英文名 | 1-Isopropyl-1H-benzotriazole-5-carboxylic acid |
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| CAS号 | 306935-41-1 | 分子量 | 205.213 | |
| 密度 | 1.4±0.1 g/cm3 | 沸点 | 413.9±18.0 °C at 760 mmHg | |
| 分子式 | C10H11N3O2 | 熔点 | 229-230ºC | |
| MSDS | 中文版 美版 | 闪点 | 204.1±21.2 °C |
1-异丙基1,2,3-苯并三唑-5-羧酸用途GPR109受体激动剂-1(化合物3a)是人类孤儿G蛋白偶联受体GPR109b的高选择性激动剂,pEC50为6.4。GPR109-受体激动剂-1可用于心脏代谢疾病的研究[1]。 |
| 中文名 | 1-异丙基-1H-1,2,3-苯并噻唑-5-羧酸 |
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| 英文名 | 1-propan-2-ylbenzotriazole-5-carboxylic acid |
| 中文别名 | 1-异丙基-1,2,3-苯并三唑-5-羧酸 |
| 英文别名 | 更多 |
| 描述 | GPR109受体激动剂-1(化合物3a)是人类孤儿G蛋白偶联受体GPR109b的高选择性激动剂,pEC50为6.4。GPR109-受体激动剂-1可用于心脏代谢疾病的研究[1]。 |
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| 相关类别 | |
| 靶点实验 |
pEC50: 6.40 ± 0.36 (GPR109b)[1] |
| 参考文献 |
| 密度 | 1.4±0.1 g/cm3 |
|---|---|
| 沸点 | 413.9±18.0 °C at 760 mmHg |
| 熔点 | 229-230ºC |
| 分子式 | C10H11N3O2 |
| 分子量 | 205.213 |
| 闪点 | 204.1±21.2 °C |
| 精确质量 | 205.085129 |
| PSA | 68.01000 |
| LogP | 2.05 |
| InChIKey | RUTVRAJKELSHCC-UHFFFAOYSA-N |
| SMILES | CC(C)n1nnc2cc(C(=O)O)ccc21 |
| 蒸汽压 | 0.0±1.0 mmHg at 25°C |
| 折射率 | 1.655 |
| 储存条件 | Store at RT |
| 危害码 (欧洲) | Xi |
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| 风险声明 (欧洲) | 36/37/38 |
| 安全声明 (欧洲) | 26-36/37/39 |
| 海关编码 | 2933990090 |
| 海关编码 | 2933990090 |
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| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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实验名称:Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro...
来源:NCGC
靶标:N/A
External Id:SERCaMPGLuc-p1-antagonist
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实验名称:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
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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
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实验名称:Human HCA3 receptor (Hydroxycarboxylic acid receptors)
来源:IUPHAR-DB
靶标:HCA3 receptor (Hydroxycarboxylic acid receptors) [Homo sapiens]
External Id:313_Human
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实验名称:Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1315
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实验名称:Inhibition of recombinant type N-terminal His6-tagged 2 R67 DHFR expressed in Escheri...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL2045594
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实验名称:qHTS for Inhibitors of Polymerase Kappa
来源:NCGC
靶标:DNA polymerase kappa [Homo sapiens]
External Id:PolK100
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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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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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实验名称:Tocris HTS for Inhibitors of Aerobactin Synthetase lucA
来源:23265
External Id:IucA Pilot Assay Tocris Library
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| 1-Isopropyl-1H-benzotriazole-5-carb; oxylic acid |
| MFCD01570664 |
| 1-(propan-2-yl)-1H-benzotriazole-5-carboxylic acid |
| 1-ISOPROPYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLIC ACID |
| 1-Isopropyl-1H-benzotriazole-5-carboxylic acid |
| 1-Isopropylbenzotriazole-5-carboxylic acid |
| FSLLRY-NH2 |
| 1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid |