6170-42-9

• 常用中文名：盐酸氯吡胺
• 常用英文名：Chloropyramine hydrochloride
• CAS号：6170-42-9
• 分子式：C₁₆H₂₁Cl₂N₃
• 分子量：326.26400
• 相关类别： 分析化学 标准品 法医和兽医标准品
• 发布时间：2018-09-12 02:27:34
• 更新时间：2024-01-02 13:32:29
• Chloropyramine hydrochloride 是一种组胺受体 H1 (histamine receptor H1) 拮抗剂,它也能抑制 VEGFR-3 和 FAK 的生化功能。

名称

• 中文名: 氯吡胺盐酸盐
• 英文名: N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine,hydrochloride
• 中文别名: N-对氯苄基-N',N'-二甲基-N-(2-吡啶基)乙二胺; 盐酸氯吡胺; N-(4-氯苄基)-N',N'-二甲基-N-2-吡啶基-1,2-乙二胺盐酸盐
• 英文别名: Chlorpiramin hydrochloride; Chloropyramine HCl; Chloropyramine hydrochloride; Chloropyribenzamine hydrochloride; MFCD00079009; Chlorpyramine hydrochloride; Halopyramine hydrochloride; Nilfan; N-(4-chloro-benzyl)-N',N'-dimethyl-N-[2]pyridyl-ethylenediamine,hydrochloride; Allergan S hydrochloride; Alergosan; EINECS 228-216-2; N-(4-Chlor-benzyl)-N',N'-dimethyl-N-[2]pyridyl-aethylendiamin,Hydrochlorid

物化性质

• 沸点: 413.5ºC at 760 mmHg
• 分子式: C₁₆H₂₁Cl₂N₃
• 分子量: 326.26400
• 闪点: 203.9ºC
• 精确质量: 325.11100
• PSA: 19.37000
• LogP: 4.10520
• 外观性状: 粉末
• 储存条件: -20℃
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积:19.4

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:264

  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:2

生物活性

• 描述: Chloropyramine hydrochloride 是一种组胺受体 H1 (histamine receptor H1) 拮抗剂,它也能抑制 VEGFR-3 和 FAK 的生化功能。
• 相关类别:
  信号通路 >> 蛋白酪氨酸激酶 >> FAK
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 组胺受体
  信号通路 >> 免疫及炎症 >> 组胺受体
  研究领域 >> 癌症
• 靶点:

  VEGFR-3

• 体外研究: BT474细胞对盐酸氯吡嗪(化合物1)处理高度敏感,其中1μM浓度在处理48小时后导致活力降低40％。结果发现,在1μM浓度的盐酸氯吡胺浓度下,对照MCF7-pcDNA3细胞的存活率显着高于MCF7-VEGFR-3细胞的存活率(P <0.01),在10μM浓度下,这种差异达到两倍(P <0.001) )。在BT474细胞中,用盐酸氯吡嗪处理也导致细胞增殖的浓度依赖性降低。当用氯吡嗪盐酸盐持续治疗48小时时,过表达VEGFR-3的乳腺癌细胞发生凋亡。这种作用是剂量依赖性的,10μM盐酸氯吡胺诱导超过60％的BT474细胞凋亡。在我们的模型细胞系MCF7-pcDNA3和MCF7-VEGFR-3中,用10μM盐酸氯吡嗪处理48小时导致过表达VEGFR-3的细胞系中凋亡细胞死亡增加4倍(18％对76％)分别)[1]。
• 体内研究: 氯吡格拉胺盐酸盐在两种模型系统中引起肿瘤生长的显着减少,其中治疗组中的肿瘤大小约为载体对照组中肿瘤大小的20％。以3mg/kg施用的阿霉素导致肿瘤生长减少约60％,但在0,3mg/kg时对肿瘤生长没有影响。相反,单独使用氯吡嗪盐酸盐效果不大(肿瘤生长减少50％)。盐酸氯吡嗪和阿霉素的低剂量组合具有延长的抗肿瘤效果(肿瘤生长减少85％),这比单独使用任何一种药物都要大[1]。
• 激酶实验: 在存在或不存在盐酸氯吡胺的情况下孵育细胞，并用抗FAK抗体4.47或与桩蛋白或VEGFR-3组合染色。使用Alexa Fluor 546二抗进行检测，并使用Alexa Fluor 488和Alexa Fluor 546二抗的双重染色组合[1]。
• 细胞实验: 通过测量代谢活性细胞的线粒体脱氢酶活性，在MTS测定中测定细胞存活。将5.0×103（100μL）细胞接种在96孔板中并使其附着过夜。向每个孔中加入100微升含或不含氯吡嗪盐酸盐的新鲜培养基。将细胞处理指定的时间。 MTS测定根据制造商协议[1]进行。
• 动物实验: 将浓度为2至5×10 6个细胞/200μL的BT474和MCF7-VEGFR-3细胞皮下注射到5至6周龄小鼠的右胁腹中，每组5只。每天一次通过腹膜内注射（IP）注射细胞后第二天开始用氯吡嗪盐酸盐治疗。每周测量肿瘤大小三次，并使用公式长度×宽度2×0.5计算体积。处理21天后或当肿瘤大小达到方案终点时处死动物。切除，测量和保存肿瘤用于蛋白质和RNA的制备和细胞化学[1]。
• 参考文献:

  [1]. Kurenova EV, et al. Small molecule chloropyramine hydrochloride (C4) targets the binding site of focal adhesion kinase and vascular endothelial growth factor receptor 3 and suppresses breast cancer growth in vivo. J Med Chem. 2009 Aug 13;52(15):4716-24.

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: Chloropyramine hydrochloride REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. CAS-No.: 6170-42-9 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008. This substance is not classified as dangerous according to Directive 67/548/EEC. Label elements The product does not need to be labelled in accordance with EC directives or respective national laws. Other hazards - none SECTION 3: Composition/information on ingredients Substances : N-p-Chlorobenzyl-N′,N′-dimethyl-N-(2-pyridyl)ethylenediamine Synonyms Formula: C16H20ClN3 · HCl Molecular Weight: 326,26 g/mol CAS-No.: 6170-42-9 EC-No.: 228-216-2 No components need to be disclosed according to the applicable regulations. SECTION 4: First aid measures Description of first aid measures If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. In case of skin contact Wash off with soap and plenty of water. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx), Hydrogen chloride gas Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Avoid dust formation. Avoid breathing vapours, mist or gas. For personal protection see section 8. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire protection. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Specific end use(s) Apart from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls General industrial hygiene practice. Personal protective equipment Eye/face protection Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Choose body protection in relation to its type, to the concentration and amount of dangerous substances, and to the specific work-place., The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Do not let product enter drains. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: solid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials no data available Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. SECTION 12: Ecological information Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects no data available SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment For this product a chemical safety assessment was not carried out SECTION 16: Other information Further information Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3