4-(4-甲基-1-哌嗪)苄胺 | 216144-45-5

• 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: 4-(4-甲基-1-哌嗪)苄胺
• 中文别名: 4-(4-甲基哌嗪)苄胺；4-(4-甲基-1-哌嗪基)苄胺
• 英文名称: (4-(4-methylpiperazin-1-yl)phenyl)methanamine
• 英文别名: [4-(4-methylpiperazin-1-yl)phenyl]methanamine；4-(4-methylpiperazin-1-yl)benzylamine；4-(4-methylpiperazine)benzylamine；4-(4-methylpiperazino)benzylamine；1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine；{[4-(4-methyl-1-piperazinyl)phenyl]methyl}amine
• CAS: 216144-45-5
• 化学式: C₁₂H₁₉N₃
• 分子量: 205.303
• InChiKey: MZFQGKRIWIKPBT-UHFFFAOYSA-N

物化性质

• 沸点：
  122-124/0.05mm
• 密度：
  1.065±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  C
• 危险类别码：
  R34
• 海关编码：
  2933599090
• 安全说明：
  S26,S36/37/39,S45
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Name:	4-(4-Methylpiperazino)benzylamine 90+% Material Safety Data Sheet
Synonym:
CAS:	216144-45-5

Section 1 - Chemical Product MSDS Name:4-(4-Methylpiperazino)benzylamine 90+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
216144-45-5	4-(4-Methylpiperazino)benzylamine	90+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 216144-45-5: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 122 - 124 deg C @0.05mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H19N3
Molecular Weight: 205.3

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 216144-45-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(4-Methylpiperazino)benzylamine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 3259
Packing Group: III
IMO
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing Group: III
RID/ADR
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 216144-45-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 216144-45-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 216144-45-5 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(4-甲基-1-哌嗪)苄胺 在 三氟乙酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Novel semicarbazide-derived inhibitors of human dipeptidyl peptidase I (hDPPI)

  摘要：

  Human dipeptidyl peptidase 1 (hDPPI, cathepsin C, EC 3.4.14.1) is a novel putative drug target for the treatment of inflammatory diseases. Using 1 as a starting point (IC50 > 10 mu M), we have improved potency by more than 500-fold and successfully identified novel inhibitors of DPPI via screening of a one-bead-two-compounds library of semicarbazide derivatives. Selected compounds were shown to inhibit intracellular DPPI in RBL-2H3 cells. These compounds were further characterized for adverse effects on HepG2 cells (cytotoxicity and viability) and their metabolic stability in rat liver microsomes was estimated. One of the most potent inhibitors, 8 (IC50 = 31 +/- 3 nM; K-i = 45 +/- 2 nM, competitive inhibition), is selective for DPPI over other cysteine and serine proteases, has a half-life of 24 min in rat liver microsomes, shows approximately 50% inhibition of intracellular DPPI at 20 mu M and is noncytotoxic. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.048
• 作为产物：
  描述：

  4-(4-甲基哌嗪-1-基)苯甲腈 在 sodium tetrahydroborate 、 cobalt(II) chloride hexahydrate 作用下， 反应 5.0h， 以50%的产率得到4-(4-甲基-1-哌嗪)苄胺
  参考文献：
  名称：

  合成生物学上相关的1,4-二取代的吡唑并[3,4- d ]嘧啶的另一种合成方法

  摘要：

  已经开发了一种通用的合成1，4-二取代的吡唑并[3，4- d ]嘧啶的方法。从商业上可获得的别嘌呤醇开始，TBAF介导的N1官能化和随后的C4亲核取代，在微波辅助或标准加热条件下，可得到具有潜在生物学意义的高度官能化的吡唑并[3,4- d ]嘧啶。

  DOI：

  10.1016/j.tetlet.2013.07.069

文献信息

• SUBSTITUTED SULFONAMIDE COMPOUNDS
  申请人：OBERBOERSCH Stefan

  公开号：US20080153843A1

  公开（公告）日：2008-06-26

  Substituted sulfonamide derivatives, a process for their preparation, pharmaceutical compositions containing these compounds, and to the use of substituted sulfonamide derivatives in the treatment or inhibition of pain and/or various disorders or disease states.

  磺胺取代物，其制备方法，含有这些化合物的药物组合物，以及磺胺取代物在治疗或抑制疼痛和/或各种疾病或疾病状态中的用途。
• DERIVATIVES OF IMIDAZO PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG
  申请人：Poitout Lydie

  公开号：US20100144714A1

  公开（公告）日：2010-06-10

  The present invention relates to new derivatives of imidazo, pyrimido and diazepine-pyrimidine-dione of the general formula (I) in which R 1 , R 2 , L 1 , L 2 , Y, Z and A are various and varying groups. These products exhibit a good affinity for certain sub-types of cannabinoid receptors, in particular the CB2 receptors. They are particularly useful for treating pathological conditions and diseases in which one or more cannabinoid receptors are involved. The invention also relates to pharmaceutical compositions containing said products, and to the use thereof for preparing a drug.

  本发明涉及通式（I）中的新咪唑，嘧啶和二氮杂吡咯啉-嘧啶二酮衍生物，其中R1，R2，L1，L2，Y，Z和A是各种不同的基团。这些产物对特定类型的大麻素受体，特别是CB2受体具有良好的亲和力。它们特别适用于治疗涉及一个或多个大麻素受体的病理状况和疾病。该发明还涉及含有上述产物的药物组合物，以及用于制备药物的使用。
• Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments
  申请人：——

  公开号：US20020032238A1

  公开（公告）日：2002-03-14

  The present invention relates to substituted piperazine derivatives of general formula 1 wherein R 1 to R 7 are defined herein, the isomers and salts thereof, particularly the physiologically acceptable salts thereof, which are valuable inhibitors of the microsomal triglyceride-transfer protein (MTP), medicaments containing these compounds and their use, as well as the preparation thereof.

  本发明涉及一般式1的取代哌嗪衍生物，其中R1至R7在此处定义，其异构体和盐，特别是其生理上可接受的盐，这些盐是微粒体三酰甘油转移蛋白（MTP）的有价值的抑制剂，含有这些化合物的药物以及它们的用途，以及其制备。
• PYRAZOLOPYRIDINE COMPOUNDS AND USES THEREOF
  申请人：Incyte Corporation

  公开号：US20180072720A1

  公开（公告）日：2018-03-15

  Disclosed are compounds of Formula (I), methods of using the compounds for inhibiting HPK1 activity and pharmaceutical compositions comprising such compounds. The compounds are useful in treating, preventing or ameliorating diseases or disorders associated with HPK1 activity such as cancer.

  揭示了化合物的公式（I），使用这些化合物抑制HPK1活性的方法以及包含这些化合物的药物组合物。这些化合物在治疗、预防或改善与HPK1活性相关的疾病或紊乱方面是有用的，如癌症。
• [EN] MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS<br/>[FR] INHIBITEURS DE MTH1 DESTINÉS AU TRAITEMENT DES ÉTATS INFLAMMATOIRES ET AUTO-IMMUNS
  申请人：THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING

  公开号：WO2015187089A1

  公开（公告）日：2015-12-10

  A compound of formula (I), or a pharmaceutically acceptable salt thereof, for use in the treatment of autoimmune diseases and inflammatory conditions.

  化合物的化学式（I），或其药学上可接受的盐，用于治疗自身免疫性疾病和炎症性疾病。