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| 中文名 | 猩红酸 |
|---|---|
| 英文名 | 7,7'-(Carbonylbis(azanediyl))bis(4-hydroxynaphthalene-2-sulfonic acid) |
| 中文别名 |
7,7-(羰基二亚氨基)二(4-羟基-2-萘磺酸)
6,6'-(1,3-亚脲基)双(1,1'-萘酚)-3,3'-磺酸 |
| 英文别名 |
6,6'-Ureylene-bis(1-naphthol-3-sulfonic acid)
EINECS 205-142-9 |
| 描述 | AMI-1 free acid 是一种有效的,细胞渗透性的,可逆的蛋白精氨酸 N-甲基转移酶 (PRMTs) 抑制剂,对人 PRMT1 和酵母 Hmt1p 作用的 IC50 值分别为 8.8 μM 和 3.0 μM。AMI-1 free acid 通过阻断肽-底物结合对 PRMTs 发挥抑制作用。 |
|---|---|
| 相关类别 | |
| 靶点 |
IC50: 8.8 μM (PRMT1), 3.0 μM (yeast-Hmt1p)[1] |
| 体外研究 | AMI-1游离酸可抑制所有五种重组活性prmt(PRMT1、-3、-4和-6及Hmt1p)的体外甲基化反应[2]。AMI-1游离酸不仅抑制Ⅰ型PRMTs(PRMT1、3、4和6),而且抑制II型PRMT5[2]。AMI-1游离酸在体外特别抑制精氨酸,但不抑制赖氨酸甲基转移酶活性,并且不竞争AdoMet结合位点[3]。AMI-1游离酸抑制GFP-Npl3和细胞蛋白质的甲基化[3]。AMI-1游离酸(0.6-2.4mm；48-96h)在体外以时间依赖和剂量依赖的方式抑制S180和U2OS细胞肉瘤的细胞活性[4]。AMI-1游离酸(1.2-2.4 mM；48-72小时)通过诱导细胞凋亡降低S180细胞活力[4]。细胞活力测定[4]细胞系：S180细胞,U2OS细胞浓度：0.6mm,1.2mm,2.4mm孵育时间：48h,72h,96h结果：抑制细胞活力。细胞凋亡分析[4]细胞系：S180细胞浓度：1.2mm,2.4mm孵育时间：48h,72h。结果：细胞凋亡百分率增加。 |
| 体内研究 | AMI-1游离酸(0.5毫克；肿瘤内；每天；持续7天)抑制体内S180的活性[4]。AMI-1游离酸(0.5mg；瘤内；每日；持续7天)下调PRMT5,但不调节PRMT7在肿瘤异种移植模型中的表达[4]。AMI-1游离酸(0.5毫克；肿瘤内；每天；持续7天)可降低肿瘤异种移植模型中H4R3me2s和H3R8me2s的水平[4]。动物模型：6-7周龄雄性昆明小鼠(18-22g),移植S180细胞[4]剂量：0.5mg给药：瘤内,每日,连续7天。结果：肿瘤重量减轻。 |
| 参考文献 |
| 密度 | 1.798 g/cm3 |
|---|---|
| 熔点 | 86-88 °C |
| 分子式 | C21H16N2O9S2 |
| 分子量 | 504.49000 |
| 精确质量 | 504.03000 |
| PSA | 207.09000 |
| LogP | 5.84920 |
| 外观性状 | 干灰色-白色粉末 |
| 折射率 | -45 ° (C=1, AcOH) |
| 储存条件 | 室温，干燥 |
| 分子结构 | 1、 摩尔折射率：122.38 2、 摩尔体积（cm3/mol）：280.5 3、 等张比容（90.2K）：909.2 4、 表面张力（dyne/cm）：110.3 5、 极化率（10-24cm3）：48.51 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.8 2.氢键供体数量:6 3.氢键受体数量:9 4.可旋转化学键数量:4 5.互变异构体数量:43 6.拓扑分子极性表面积207 7.重原子数量:34 8.表面电荷:0 9.复杂度:886 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 |
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: 6,6’-Ureylene-bis(1-naphthol-3-sulfonic acid) Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:6,6’-Ureylene-bis(1-naphthol-3-sulfonic acid) CAS number:134-47-4 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C21H16N2O9S2 Molecular weight:504.5 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | Xi |
|---|---|
| 安全声明 (欧洲) | S22-S24/25 |
| WGK德国 | 3 |
| 海关编码 | 2922210000 |
|
~90%
134-47-4 |
| 文献：Ragno, Rino; Simeoni, Silvia; Castellano, Sabrina; Vicidomini, Caterina; Mai, Antonello; Caroli, Antonella; Tramontano, Anna; Bonaccini, Claudia; Trojer, Patrick; Bauer, Ingo; Brosch, Gerald; Sbardella, Gianluca Journal of Medicinal Chemistry, 2007 , vol. 50, # 6 p. 1241 - 1253 |
|
~%
134-47-4 |
| 文献：DE116200 ; |
| 上游产品 3 | |
|---|---|
| 下游产品 0 | |
| 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% |
