CAS: 92118-27-9; Diethyl (1-(3-(2-Chloroethyl)-3-Nitrosoureido)Ethyl)Phosphonate

• 英文名称Diethyl (1-(3-(2-Chloroethyl)-3-Nitrosoureido)Ethyl)Phosphonate
• 中文名称福莫司汀
• IUPAC名称diethyl (1-(3-(2-chloroethyl)-3-nitrosoureido)ethyl)phosphonate
• 其它别名1-(2-Chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea
• CAS编号92118-27-9
• MFCD编号:MFCD00866278
• EINECS号:630-468-7
• 分子式:C9H19ClN3O5P
• 分子量:315.69
• 产品CID: 1959146
• 产品分类原料药 → 抗肿瘤药 → 烷化剂类抗肿瘤药

• 相似结构搜索
• 产品信息参考;
• InChIKey: YAKWPXVTIGTRJH-UHFFFAOYNA-N
• InChI=1/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)…
• 计算化学: 氢键受体数6.0氢键供体数1.0可旋转键数8.0

物理性质

• 熔点85 °C
• 沸点188  °C(文献)
• 闪点104 °F
• 密度1.4±0.1 g/cm3
• pKa:9.47±0.46(预测)
• PSA:107.11
• LogP:1.26
• 折射率1.524
• 蒸汽压9.1X10-7 mm Hg at 25 °C (est)
• 溶解性水: ≥1mg/mL
• 外观形态淡黄色粉末
• 储存条件2-8°C
• 产品应用福莫司汀(92118-27-9)的用途:新型亚硝脲化合物,用于治疗分散恶性黑色素瘤.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别致癌性 类别2
  致癌性 类别1B
  Muta. 1B
  生殖毒性 类别1B
  急性毒性 类别3(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H351 |怀疑致癌.
  H350 |可能致癌.
  H340 |可能导致遗传缺陷.
  H360 |可能损害生育能力或胎儿.
  H301 |吞咽会中毒.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P281
• UN编号UN 3336 3/PG 2
• 危险品标志Xn
• 安全声明36/37
• 危险类别码40
• WGK Germany3

欧盟法规

合成工艺路线路线简述

• 154-93-8 + 54788-35-1 = 92118-27-9
  反应条件:1.1 Solvents: Water; Rt; 2 H,60 °C1.2 Reagents: Formic Acid; 0 - 5 °C1.3 Reagents: Sodium Nitrite; 1.5 H,0 - 5 °C
  标题:Preparation Method Of Fotemustine Used As Antitumor Drug For Treating Primary Malignant Brain Tumor And Disseminated Malignant Melanoma
  参考文献:China]
  
  = 92118-27-9 [标题:Reaction Conditions
  标题:Preparation Of Specific Conjugation Bridge Linkers And Immunoconjugates And Methods Of Using Them
  参考文献:World Intellectual Property Organization]
  
  = 92118-27-9 [标题:Reaction Conditions
  标题:Preparation Of Bridge Linkers Used For Specific Conjugation Of A Cytotoxic Agent To A Cell-Binding Molecule
  参考文献:World Intellectual Property Organization]
  
  = 92118-27-9 [标题:Reaction Conditions
  标题:Preparation Of Dihydro-Iso-Ca-4 And Analogues As Potent Cytotoxic Compounds And Inhibitors Of Tubulin Polymerization
  参考文献:France]
  
  = 92118-27-9 [标题:Reaction Conditions
  标题:Synthesis Of Fotemustine
  作者:Zhang,Wanjin; Luo,Yan; Zhang,Yanmei
  参考文献:Huagong Shikan 日期:2005 卷标:19(4)]
  
  154480-53-2 = 92118-27-9
  反应条件:1.1 Reagents: Sodium Nitrite,Tin Tetrachloride Pentahydrate Solvents: Dichloromethane; 2 H,Rt
  标题:Method For Synthesizing Nitrosourea-Like Antitumor Drugs With Tin Tetrachloride-Sodium Nitrite System
  参考文献:China]
  
  1943-83-5 + 54788-35-1 = 92118-27-9
  反应条件:1.1 Solvents: Methanol; 0 - 10 °C; 2 H,0 - 10 °C1.2 Reagents: Sodium Nitrite Solvents: Formic Acid; 2 H,0 - 5 °C1.3 Reagents: Sodium Carbonate Solvents: Water; Ph 7
  标题:Method For Synthesizing Fotemustine Raw Medicine
  参考文献:China]
  
  = 92118-27-9 [标题:Reaction Conditions
  标题:Preparation Of Bridge Linkers Used For Specific Conjugation Of Two Or More Cytotoxic Agents To A Cell-Binding Molecule
  参考文献:World Intellectual Property Organization]
  
  = 92118-27-9 [标题:Reaction Conditions
  标题:Preparation Of Novel Bridge Linkers Containing An Acetylenedicarbonyl Group For Specific Conjugation Of A Cytotoxic Agent To A Cell-Binding Molecule
  参考文献:World Intellectual Property Organization]
  
  = 92118-27-9 [标题:Reaction Conditions
  标题:Preparation Of Hydrophilic Linkers For The Conjugation Of A Cytotoxic Agent Or A Chromophore To A Cell-Binding Molecule
  参考文献:World Intellectual Property Organization]
  
  = 92118-27-9 [标题:Reaction Conditions
  标题:Preparation Of Tagitinin C And F Derivatives As Anti-Cancer Agents
  参考文献:France

海关参考信息

• 2912110000-甲醛
  2903110000-一氯甲烷及氯乙烷
  2901100000-饱和无环烃
  2921199090-其他无环单胺
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管