2-氨基-4-氯-6-苯基嘧啶结构式
|
常用名 | 2-氨基-4-氯-6-苯基嘧啶 | 英文名 | 2-Amino-4-chloro-6-phenylpyrimidine |
|---|---|---|---|---|
| CAS号 | 36314-97-3 | 分子量 | 205.644 | |
| 密度 | 1.3±0.1 g/cm3 | 沸点 | 433.1±37.0 °C at 760 mmHg | |
| 分子式 | C10H8ClN3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 215.8±26.5 °C |
| 中文名 | 2-氨基-4-氯-6-苯基嘧啶 |
|---|---|
| 英文名 | 4-chloro-6-phenylpyrimidin-2-amine |
| 英文别名 | 更多 |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 433.1±37.0 °C at 760 mmHg |
| 分子式 | C10H8ClN3 |
| 分子量 | 205.644 |
| 闪点 | 215.8±26.5 °C |
| 精确质量 | 205.040680 |
| PSA | 51.80000 |
| LogP | 2.46 |
| InChIKey | FIPBRZXDWSODDX-UHFFFAOYSA-N |
| SMILES | Nc1nc(Cl)cc(-c2ccccc2)n1 |
| 蒸汽压 | 0.0±1.0 mmHg at 25°C |
| 折射率 | 1.642 |
| 储存条件 | 2-8°C |
| 计算化学 | 1.疏水参数计算参考值(XlogP):2.5 2.氢键供体数量:1 3.氢键受体数量:3 4.可旋转化学键数量:1 5.互变异构体数量:3 6.拓扑分子极性表面积:51.8 7.重原子数量:14 8.表面电荷:0 9.复杂度:182 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 |
| 危害码 (欧洲) | Xi |
|---|---|
| 海关编码 | 2933599090 |
|
~64%
2-氨基-4-氯-6-苯基嘧啶 36314-97-3 |
| 文献:SCHERING CORPORATION Patent: WO2009/111449 A1, 2009 ; Location in patent: Page/Page column 38-39 ; WO 2009/111449 A1 |
|
~43%
2-氨基-4-氯-6-苯基嘧啶 36314-97-3 |
| 文献:BAYER PHARMACEUTICALS CORPORATION Patent: WO2006/99231 A1, 2006 ; Location in patent: Page/Page column 37 ; |
| 海关编码 | 2933599090 |
|---|---|
| 中文概述 | 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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 | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|
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
|
|
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
|
|
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
|
|
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
|
|
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.
|
|
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
|
|
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
|
|
实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
|
|
实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
|
|
实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
|
| 4-Chloro-6-phenyl-2-pyrimidinamine |
| 4-chloro-6-phenylpyrimidin-2-amine |
| 4-chloro-6-phenyl-pyrimidin-2-ylamine |
| F2108-0197 |
| 2-Amino-4-chlor-6-phenyl-pyrimidin |
| 2-Amino-4-chloro-6-phenylpyrimidine |