1-(2-羟乙基)-4-甲基哌嗪 | 5464-12-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 哌嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-(2-羟乙基)-4-甲基哌嗪
• 中文别名: 2-(4-甲基哌嗪基)乙醇；1-羟乙基-4-甲基哌嗪；1-（2-羟乙基）-4-甲基哌嗪
• 英文名称: 2-(4-methylpiperazinyl)ethanol
• 英文别名: 2-(4-methylpiperazin-1-yl)ethanol；2-(4-methylpiperazin-1-yl)ethan-1-ol；1-hydroxyethyl-4-methylpiperazine；1-(2-hydroxyethyl)-4-methylpiperazine；4-methylpiperazine-1-ethanol
• CAS: 5464-12-0
• 化学式: C₇H₁₆N₂O
• mdl: MFCD03840691
• 分子量: 144.217
• InChiKey: QHTUMQYGZQYEOZ-UHFFFAOYSA-N

物化性质

• 熔点：
  39-41°C
• 沸点：
  54-55°C/0.5mbar
• 密度：
  1.003±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S26,S36/37/39
• 海关编码：
  2933599090
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P280
• 危险性描述：
  H302+H312+H332
• 储存条件：
  存放于惰性气体中；避免湿气（否则可能导致分解）。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 1-(2-Hydroxyethyl)-4-methylpiperazine
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 1-(2-Hydroxyethyl)-4-methylpiperazine
CAS number: 5464-12-0

---

Section 4. 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.

---

Section 5. 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.

---

Section 6. 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.

---

Section 7. 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:

---

Section 8. 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.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H16N2O
Molecular weight: 144.2

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. 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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. 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

反应信息

• 作为反应物：
  描述：

  1-(2-羟乙基)-4-甲基哌嗪 在 potassium tert-butylate 、 铁粉 、 氯化铵 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 水 、 叔丁醇 为溶剂， 生成 N-(4-((3-chloro-4-fluorophenyl)amino)-7-(2-(4-methylpiperazin-1-yl)ethoxy)quinazolin-6-yl)-2-fluoro-5-nitrobenzamide
  参考文献：
  名称：

  具有多种6-苯甲酰胺基团的新型喹唑啉衍生物作为高选择性和有效的EGFR抑制剂

  摘要：

  合成了一系列带有各种C-6苯甲酰胺取代基的新型喹唑啉衍生物，并将其作为EGFR抑制剂进行了评估，并且大多数都表现出对EGFR激酶的显着抑制作用。特别是，化合物6g对EGFR野生型（IC 50  = 5 nM）具有有效的抑制活性，并且对HCC827和Ba / F3（L858R）细胞系具有很强的抗增殖活性。针对一组365种激酶的激酶谱分析表明6g对EGFR具有高度选择性。此外，6g在肝微粒体代谢稳定性和细胞色素P450抑制试验以及初步药代动力学研究中显示出理想的特性。6克的整体吸引力 使它成为进一步发展的有趣化合物。

  DOI：

  10.1016/j.bmc.2018.02.022
• 作为产物：
  描述：

  N-甲基哌嗪 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 18.0h， 生成 1-(2-羟乙基)-4-甲基哌嗪
  参考文献：
  名称：

  作为胃泌素释放肽受体拮抗剂的芳香族氨基酸衍生物的设计，合成和止痒活性评估。

  摘要：

  设计并合成了八种芳香族氨基酸衍生物（9a-9h）作为胃泌素释放肽受体（GRPR）拮抗剂。在设计中，以1u19蛋白为模板，通过blast搜索来预测GRPR的三级结构。将八种目标化合物停靠在结合袋中，以研究其可能的结合相互作用。通过鞘内注射使用昆明小鼠作为实验动物并用磷酸氯喹作为建模介质来测试它们的抗痒活性。化合物9e和9f显着抑制了刮擦行为。这些化合物的止痒活性按以下顺序降低：计算机辅助药物设计（CADD）预测的9e> 9f = 9d> 9b> 9g> 9a> 9h> 9c和9e> 9f> 9b> 9h> 9g> 9d> 9a> 通过初步测试评估9c。它们基本符合CADD预先测试的活动顺序。结果表明，预测的GRPR三级结构可用于止痒药的设计。

  DOI：

  10.2174/157340612802084342
• 作为试剂：
  描述：

  2,3'-dichloro-benzhydrol 在 1-(2-羟乙基)-4-甲基哌嗪 、 氯化亚砜 、 sodium hydride 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 7.5h， 生成 1,2-Bis(2-chlorophenyl)1,2-bis(3-chlorophenyl)ethane
  参考文献：
  名称：

  Jilek, Jiri; Urban, Jiri; Kmonicek, Vojtech, Collection of Czechoslovak Chemical Communications, 1989, vol. 54, # 8, p. 2248 - 2260

  摘要：

  DOI：

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• [EN] COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS<br/>[FR] COMPOSÉS POUR INHIBER LA PROLIFÉRATION CELLULAIRE DANS LES CANCERS INDUITS PAR L'EGFR
  申请人：ARIAD PHARMA INC

  公开号：WO2013169401A1

  公开（公告）日：2013-11-14

  The invention features compounds, pharmaceutical compositions and methods for treating patients who have an EGFR-driven cancer of Formula (I), wherein the variables are as defined herein.

  这项发明涉及化合物、药物组合物和治疗EGFR驱动的Formula (I)癌症患者的方法，其中变量如本文所定义。
• [EN] NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX DÉRIVÉS DE THIÉNOPYRIMIDINE, PROCÉDÉ POUR LEUR PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SERVIER LAB

  公开号：WO2015097123A1

  公开（公告）日：2015-07-02

  Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, R12, X, A and n are as defined in the description.

  式（I）的化合物：其中R1、R2、R3、R4、R5、R6、R7、R12、X、A和n的定义如描述中所述。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• [EN] IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION<br/>[FR] DÉRIVÉS D'IMIDAZOTHIADIAZOLE ET D'IMIDAZOPYRAZINE UTILISÉS COMME INHIBITEURS DU RÉCEPTEUR 4 ACTIVÉ PAR UNE PROTÉASE (PAR4) POUR LE TRAITEMENT DE L'AGRÉGATION PLAQUETTAIRE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013163279A1

  公开（公告）日：2013-10-31

  The present invention provides thiazole compounds of Formula I wherein W, Y, R0, R2, R4, R5, R6, R7, X1, X2, X3 and X4 are as defined herein, or a stereoisomer, tautomer, pharmaceutically acceptable salt, prodrug ester or solvate form thereof, wherein all of the variables are as defined herein. These compounds are inhibitors of platelet aggregation and thus can be used as medicaments for treating or preventing thromboembolic disorders.

  本发明提供了式I的噻唑化合物，其中W、Y、R0、R2、R4、R5、R6、R7、X1、X2、X3和X4如本文所定义，或其立体异构体、互变异构体、药学上可接受的盐、前药酯或溶剂化合物形式，其中所有变量均如本文所定义。这些化合物是血小板聚集抑制剂，因此可用作治疗或预防血栓栓塞性疾病的药物。