35369-53-0

• 常用中文名：N,N''-二(2-羟基苄基)乙二胺-N,N''-二乙酸一盐酸盐水合物
• 常用英文名：HBED dihydrochloride
• CAS号：35369-53-0
• 分子式：C₂₀H₂₆Cl₂N₂O₆
• 分子量：461.34
• 发布时间：2018-12-16 19:54:57
• 更新时间：2024-01-06 22:16:40
• HBED二盐酸盐是一种口服活性六齿酚氨基羧酸铁螯合剂。HBED指的是N,N'-双(2-羟基苄基)乙二胺-N,N'--二乙酸,在灵长类动物中诱导铁排泄。HBED二盐酸盐有潜力作为去铁胺的替代品用于铁螯合治疗[1]。

名称

• 中文名: N,N-二(2-羟基苯基)亚乙基二胺-N,N-二乙酸盐酸盐
• 英文名: hbed hcl h2o
• 中文别名: 去羟基-N,N'-二(2-羟基苄基)乙二胺-N,N'-二乙酸盐酸盐(HBED); N,N-二(2-羟基苯基)亚乙基二胺-N,N'-二乙酸盐酸盐
• 英文别名: hbed 2hcl 2h2o

物化性质

• 熔点: 130-134ºC
• 分子式: C₂₀H₂₆Cl₂N₂O₆
• 分子量: 461.34
• 精确质量: 388.16300
• PSA: 121.54000
• LogP: 1.57120
• 外观性状: 白色至灰白色固体
• 储存条件:

  密封、在2 ºC -10 ºC下保存

• 稳定性:

  常规情况下不会分解，没有危险反映

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-2.8

  2.氢键供体数量:4

  3.氢键受体数量:8

  4.可旋转化学键数量:11

  5.互变异构体数量:5

  6.拓扑分子极性表面积122

  7.重原子数量:28

  8.表面电荷:0

  9.复杂度:459

  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

• 更多:

  1. 性状： 未确定

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,8mm hg）： 未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）： 未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

生物活性

• 描述: HBED二盐酸盐是一种口服活性六齿酚氨基羧酸铁螯合剂。HBED指的是N,N'-双(2-羟基苄基)乙二胺-N,N'--二乙酸,在灵长类动物中诱导铁排泄。HBED二盐酸盐有潜力作为去铁胺的替代品用于铁螯合治疗[1]。
• 相关类别:
  研究领域 >> 其他
• 体内研究: HBED一盐酸盐二水合物在不同的给药方式下,产生的活性不同。赫贝德以 81、162和 324μMol/kg的剂量,口服给药后不会产生显著效果。而以 162和 324μMol/kg的剂量,在皮下给药后,提高了净铁排泄量[1]
• 参考文献:

  [1]. Bergeron RJ, et al. HBED: the continuing development of a potential alternative to deferoxamine for iron-chelating therapy. Blood. 1999 Jan 1;93(1):370-5.

MSDS

Section 1: Product Identification Chemical Name:N,N'-Di(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid monohydrochloride hydrate HBED CAS Registry Number:35369-53-0 Formula:C20H24N2O6.HCl.XH2O EINECS Number:none Chemical Family:organic amine Synonym:none Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound35369-53-0100%no datano data Section 3: Hazards Identification Emergency Overview:No particular hazard associated with this material. Primary Routes of Exposure:Ingestion, inhalation Eye Contact:May cause slight to mild irritation of the eyes. Skin Contact:May cause slight to mild irritation of the skin. Inhalation:May be irritating to the nose, mucous membranes and respiratory tract. Ingestion:No specific information is available on the physiological effects of ingestion. Acute Health Affects:May be irritating to skin, eyes and respiratory tract. Chronic Health Affects:No information available on long-term chronic effects. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:no data Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry powder or foam If this material is involved in a fire, fire fighters should be equipped with a NIOSH approved, positive pressure Special Fire Fighting Procedures: self contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit toxic organic fumes. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a tightly sealed container. Keep away from heat and direct sunlight. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:off-white pwdr. Molecular Weight:424.89 Melting Point:130-134° Boiling Point:no data Vapor Pressure:not applicable Specific Gravity:no data Odor:none Solubility in Water:soluble SECTION 10: Stability and Reactivity Stability:air and moisture stable solid Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:Oxidizing agents and halogens Decomposition Products:carbon dioxide, carbon monoxide, nitrogen oxides, hydrogen chloride, and organic fumes SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:No data available Mutagenic Effects:No data available Tetratogenic Effects:No data available SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory. SARA (Title 313):Not reportable under SARA Title 313 Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39