4-哌啶苯胺盐酸盐 | 110475-33-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-哌啶苯胺盐酸盐
• 中文别名: 4-哌啶-1-基苯胺盐酸盐；4-(1-哌啶基)苯胺盐酸盐
• 英文名称: 4-piperidino-aniline; monohydrochloride
• 英文别名: 4-Piperidino-anilin; Monohydrochlorid；4-Piperidinoaniline hydrochloride；4-piperidin-1-ylaniline;hydrochloride
• CAS: 110475-33-7
• 化学式: C₁₁H₁₆N₂*ClH
• mdl: MFCD02631949
• 分子量: 212.722
• InChiKey: HYLYCYONEOJCCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  29.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-Piperidinoaniline, HCl
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Piperidinoaniline, HCl
CAS number: 110475-33-7

---

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: C11H16N2.ClH
Molecular weight: 212.7

---

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, hydrogen chloride.

---

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：

  4-哌啶苯胺盐酸盐 、 乙酰氯 在 三乙胺 作用下， 以 dichloroform 、 水 为溶剂， 生成 N-(4-(piperidin-1-yl)phenyl)acetamide
  参考文献：
  名称：

  Aminobenzene compounds to prevent nerve cell degradation

  摘要：

  一种用于中枢抗氧化剂的化合物，具有抑制脑细胞退化和坏死的活性，化学式为(I)：其中A和B分别是(1)具有以下式的基团：其中R.sub.1和R.sub.2分别是氢原子、可选择取代的碳氢残基或可选择取代的杂环基，或者R.sub.1与R.sub.2以及它们结合的氮原子可以形成一个环氨基，前提是R.sub.1和R.sub.2不能同时为氢原子，或者(2)具有以下式的基团：其中D为O或S，R.sub.3为氢原子、可选择取代的碳氢残基或可选择取代的酰基，m为1、2或3，n为0、1、2、3或4；p为1或2，前提是当p为2时A可以相同或不同；R.sub.4、R.sub.5和R.sub.6分别是氢原子、低碳基或低烷氧基，或者R.sub.5和R.sub.6可以结合形成--CH.dbd.CH--CH.dbd.CH--，或其盐。

  公开号：

  US05580883A1
• 作为产物：
  描述：

  乙醚 、 1-(4-硝基苯基)哌啶 在 palladium-carbon 盐酸 作用下， 以 甲醇 为溶剂， 生成 4-哌啶苯胺盐酸盐
  参考文献：
  名称：

  Aminobenzene compounds to prevent nerve cell degradation

  摘要：

  一种用于中枢抗氧化剂的化合物，具有抑制脑细胞退化和坏死的活性，化学式为(I)：其中A和B分别是(1)具有以下式的基团：其中R.sub.1和R.sub.2分别是氢原子、可选择取代的碳氢残基或可选择取代的杂环基，或者R.sub.1与R.sub.2以及它们结合的氮原子可以形成一个环氨基，前提是R.sub.1和R.sub.2不能同时为氢原子，或者(2)具有以下式的基团：其中D为O或S，R.sub.3为氢原子、可选择取代的碳氢残基或可选择取代的酰基，m为1、2或3，n为0、1、2、3或4；p为1或2，前提是当p为2时A可以相同或不同；R.sub.4、R.sub.5和R.sub.6分别是氢原子、低碳基或低烷氧基，或者R.sub.5和R.sub.6可以结合形成--CH.dbd.CH--CH.dbd.CH--，或其盐。

  公开号：

  US05580883A1

文献信息

• Identification of 4-benzylamino-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide derivatives as potent and orally bioavailable STAT6 inhibitors
  作者：Shinya Nagashima、Hiroshi Nagata、Masahiro Iwata、Masaki Yokota、Hiroyuki Moritomo、Masaya Orita、Sadao Kuromitsu、Akiko Koakutsu、Keiko Ohga、Makoto Takeuchi

  DOI：10.1016/j.bmc.2008.05.031

  日期：2008.7.1

  Signal transducers and activators of transcription 6 (STAT6) is a key regulator of the type 2 helper T (Th2) cell immune response and a potential therapeutic target for allergic diseases such as asthma and atopic diseases. To search for potent and orally bioavailable STAT6 inhibitors, we synthesized a series of 4-benzylaminopyrimidine-5- carboxamide derivatives and evaluated their STAT6 inhibitory activities. Among these compounds, 2-[(4-morpholin-4-ylphenyl)amino]-4-[(2,3,6- trifluorobenzyl)amino]pyrimidine-5-carboxamide (25y, YM-341619, AS1617612) showed potent STAT6 inhibition with an IC(50) of 0.70 nM, and also inhibited Th2 differentiation in mouse spleen T cells induced by interleukin (IL)-4 with an IC(50) of 0.28 nM without affecting type 1 helper T (Th1) cell differentiation induced by IL-12. In addition, compound 25y showed an oral bioavailability of 25% in mouse. (c) 2008 Elsevier Ltd. All rights reserved.