2-苯基-6-苯并噻唑羧酸结构式
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常用名 | 2-苯基-6-苯并噻唑羧酸 | 英文名 | 2-phenyl-1,3-benzothiazole-6-carboxylic acid |
|---|---|---|---|---|
| CAS号 | 19989-69-6 | 分子量 | 255.29200 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C14H9NO2S | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 中文名 | 2-苯基-6-苯并噻唑羧酸 |
|---|---|
| 英文名 | 2-phenyl-1,3-benzothiazole-6-carboxylic acid |
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 分子式 | C14H9NO2S |
|---|---|
| 分子量 | 255.29200 |
| 精确质量 | 255.03500 |
| PSA | 78.43000 |
| LogP | 3.66150 |
| InChIKey | SUBZYLZMYNBQLW-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc2nc(-c3ccccc3)sc2c1 |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~%
2-苯基-6-苯并噻唑羧酸 19989-69-6 |
| 文献:Connolly, Peter J.; Macielag, Mark J.; McDonnell, Mark E.; Zhu, Bin Patent: US2012/77797 A1, 2012 ; Location in patent: Page/Page column 35 ; US 20120077797 A1 |
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~60%
2-苯基-6-苯并噻唑羧酸 19989-69-6 |
| 文献:Rtishchev, N. I.; Kvitko, I. Ya.; Nagorskaya, L. P.; El'tsov, A. V. Russian Journal of General Chemistry, 1993 , vol. 63, # 2.2 p. 303 - 309 Zhurnal Obshchei Khimii, 1993 , vol. 63, # 2 p. 429 - 438 |
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~55%
2-苯基-6-苯并噻唑羧酸 19989-69-6 |
| 文献:Pal, Sudhir; Patra, Gopal; Bhunia, Sankar Synthetic Communications, 2009 , vol. 39, # 7 p. 1196 - 1203 |
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~%
2-苯基-6-苯并噻唑羧酸 19989-69-6 |
| 文献:Connolly, Peter J.; Macielag, Mark J.; Zhu, Bin Patent: US2012/58986 A1, 2012 ; US 20120058986 A1 |
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~%
2-苯基-6-苯并噻唑羧酸 19989-69-6 |
| 文献:Burger,A.; Sawhney,S.N. Journal of Medicinal Chemistry, 1968 , vol. 11, # 2 p. 270 - 273 |
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~%
2-苯基-6-苯并噻唑羧酸 19989-69-6 |
| 文献:Fridman Zhurnal Obshchei Khimii, 1950 , vol. 20, p. 1807,1811; engl. Ausg. S. 1871, 1874, 1875 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 2-苯基-6-苯并噻唑羧酸上游产品 7 | |
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| 2-苯基-6-苯并噻唑羧酸下游产品 0 | |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Base...
来源:Broad Institute
靶标:Hsf1 protein
External Id:2038-03_Inhibitor_Dose_CherryPick_Activity_Set4
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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| HMS2560P14 |
| 2-Phenylbenzothiazole-6-carboxylic acid |
| 6-carboxy-2-phenylbenzothiazole |
| 2-Phenyl-benzothiazol-6-carbonsaeure |
| HMS1492L08 |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 2-苯基-6-苯并噻唑羧酸的CAS号是多少? |
| A: 2-苯基-6-苯并噻唑羧酸CAS号为19989-69-6。 |
| Q: 2-苯基-6-苯并噻唑羧酸的上游原料有哪些? |
| A: 2-苯基-6-苯并噻唑羧酸相关上游原料(CAS):14543-45-4;100-52-7;582-80-9;99073-88-8;98-80-6;98-88-4;10205-58-0。 |
| Q: 2-苯基-6-苯并噻唑羧酸的SMILES表达式是什么? |
| A: 2-苯基-6-苯并噻唑羧酸SMILES表达式为O=C(O)c1ccc2nc(-c3ccccc3)sc2c1。 |
| Q: 2-苯基-6-苯并噻唑羧酸的LogP(油水分配系数)是多少? |
| A: 2-苯基-6-苯并噻唑羧酸LogP(油水分配系数)为3.66150。 |
| Q: 2-苯基-6-苯并噻唑羧酸的分子式是什么? |
| A: 2-苯基-6-苯并噻唑羧酸分子式为C14H9NO2S。 |
| Q: 2-苯基-6-苯并噻唑羧酸有哪些英文别名? |
| A: 2-苯基-6-苯并噻唑羧酸英文别名有:HMS2560P14、 2-Phenylbenzothiazole-6-carboxylic acid、 6-carboxy-2-phenylbenzothiazole、 2-Phenyl-benzothiazol-6-carbonsaeure、 HMS1492L08。 |
| Q: 2-苯基-6-苯并噻唑羧酸的分子量是多少? |
| A: 2-苯基-6-苯并噻唑羧酸分子量为255.29200。 |
| Q: 2-苯基-6-苯并噻唑羧酸的InChIKey是什么? |
| A: 2-苯基-6-苯并噻唑羧酸InChIKey为SUBZYLZMYNBQLW-UHFFFAOYSA-N。 |
| Q: 2-苯基-6-苯并噻唑羧酸的英文名称是什么? |
| A: 2-苯基-6-苯并噻唑羧酸英文名称为2-phenyl-1,3-benzothiazole-6-carboxylic acid。 |
| Q: 19989-69-6的中文名称是什么? |
| A: 19989-69-6的中文名称为2-苯基-6-苯并噻唑羧酸。 |