苯酰胺,4-(1-哌啶基)- | 10552-10-0

• 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: 苯酰胺,4-(1-哌啶基)-
• 英文名称: 4-Piperidinobenzamid
• 英文别名: 4-(piperidin-1-yl)benzamide；4-Piperidino-benzoesaeureamid；4-piperidin-1-ylbenzamide
• CAS: 10552-10-0
• 化学式: C₁₂H₁₆N₂O
• mdl: MFCD20441844
• 分子量: 204.272
• InChiKey: DNOHGVBWZQXRBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Piperidin-1-yl)benzamide
Synonyms:

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

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Section 3. Composition/information on ingredients.
Ingredient name: 4-(Piperidin-1-yl)benzamide
CAS number: 10552-10-0

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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.

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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.

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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.

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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:

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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.

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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: C12H16N2O
Molecular weight: 204.3

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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.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  苯酰胺,4-(1-哌啶基)- 在 双氧水 作用下， 以 1,4-二氧六环 、 甲酸 为溶剂， 反应 16.0h， 生成 4-(Piperidin-1-yloxy)-benzamide
  参考文献：
  名称：

  Studies of tertiary amine oxides. 9. Thermal rearrangement of 1-(4-substituted) phenylpiperidine N-oxides to the corresponding N-hydroxylamines

  摘要：

  DOI：

  10.1021/jo00385a012
• 作为产物：
  描述：

  4-哌啶-1-苯甲醛 在 水 、 双氧水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以69%的产率得到苯酰胺,4-(1-哌啶基)-
  参考文献：
  名称：

  新型二苯并[ b，d ]呋喃羧酸作为潜在抗糖尿病药的合成与评价

  摘要：

  合成，表征和评估了一系列新颖的二苯并[ b，d ]呋喃单羧酸衍生物，以在体外抑制蛋白酪氨酸磷酸酶1B（PTP1B）的能力，以便将其用作潜在的抗糖尿病药。结构-活性关系研究导致鉴定出有效化合物5E，该化合物抑制PTP1B，IC 50值为82±0.43 nM。使用马来酸罗格列酮作为标准品，在体内筛选化合物5E作为抗糖尿病活性的候选药物。化合物5E结果显示，ob / ob小鼠的体重，摄食状态全血糖（WBG），禁食WBG，血浆葡萄糖和血浆胆固醇水平显着降低，而禁食血浆甘油三酸酯水平无明显降低。

  DOI：

  10.1016/j.ejmech.2010.05.020

文献信息

• Indazole-derivatives as factor Xa inhibitors
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1479675A1

  公开（公告）日：2004-11-24

  The present invention relates to compounds of the formulae I and Ib wherein R0 ; R1 ; R2 ;Q; V, G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formulae I and Ib, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式I和Ib的化合物 其中R0; R1; R2; Q; V，G和M具有索赔中指示的含义。式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，例如，适用于治疗和预防心血管疾病，如血栓栓塞疾病或再狭窄。它们是血液凝块酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于因子Xa和/或因子VIIa的不良活性存在或因子Xa和/或因子VIIa的抑制而打算治愈或预防的情况。此外，本发明还涉及制备式I和Ib的化合物的方法，它们的用途，特别是作为药物中的活性成分，并包括它们的制药制剂。
• Cyclisierungen über Enamin-Zwischenstufen bei Amindehydrierungen/Cyclizations via Enamine Intermediates with Amine Dehydrogenations
  作者：H. Möhrle、J. Mehrens

  DOI：10.1515/znb-1999-0210

  日期：1999.2.1

  The mercury-edta dehydrogenation of the 4′-aminosubstituted-acetophenones 1, 8a and 9a produced the ring cleavaged derivatives 7 ,11a and 12a, while the piperidine and its derivatives 10a - 10e gave rise to tetracyclic compounds 16a - 16e and to methylenedi-enamines 19a - 19d, the additionally C-1-fragment in 19a - 19d probably coming from mercury edta. With addition of m-nitrobenzaldehyde to the mercury-edta dehydrogenation of substituted phenylpiperidines another route only generated the di-enamines 22.

  在汞-EDTA脱氢反应中，4'-氨基取代的苯乙酮1、8a和9a生成了开环衍生物7、11a和12a，而哌啶及其衍生物10a-10e则产生了四环化合物16a-16e和亚甲基二烯胺19a-19d，19a-19d中额外的C-1片段可能来自汞EDTA。当将间硝基苯甲醛加入取代的苯基哌啶的汞-EDTA脱氢反应中时，另一条路径只生成了二烯胺22。

• General Paradigm in Photoredox Nickel‐Catalyzed Cross‐Coupling Allows for Light‐Free Access to Reactivity
  作者：Rui Sun、Yangzhong Qin、Daniel G. Nocera

  DOI：10.1002/anie.201916398

  日期：2020.6.8

  Self‐sustained NiI/III cycles are established as a potentially general paradigm in photoredox Ni‐catalyzed carbon–heteroatom cross‐coupling reactions through a strategy that allows us to recapitulate photoredox‐like reactivity in the absence of light across a wide range of substrates in the amination, etherification, and esterification of aryl bromides, the latter of which has remained, hitherto, elusive

  自我维持的Ni I / III循环被确立为光氧化还原Ni催化的碳-杂原子交叉偶联反应中的潜在一般范式，其策略是使我们能够在没有光的情况下在各种各样的底物上重现类似光氧化还原的反应性。在芳基溴化物的胺化，醚化和酯化反应中，迄今为止，后者在热镍催化下仍然难以捉摸。此外，在没有光照的情况下酯化的可及性尤其显着，因为先前在光氧化还原条件下对该转化进行的机理研究一致地调用了能量转移介导的途径。
• ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS
  申请人：Baindur Nand

  公开号：US20060281772A1

  公开（公告）日：2006-12-14

  The invention is directed to alkylquinoline and alkylquinazoline compounds of Formula I: wherein R 1 , R 2 , R 3 , B, Z, G, Q and X are as defined herein, the use of such compounds as protein tyrosine kinase modulators, particularly inhibitors of FLT3 and/or c-kit and/or TrkB, the use of such compounds to reduce or inhibit kinase activity of FLT3 and/or c-kit and/or TrkB in a cell or a subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to FLT3 and/or c-kit and/or TrkB. The present invention is further directed to pharmaceutical compositions comprising the compounds of the present invention and to methods for treating conditions such as cancers and other cell proliferative disorders.

  该发明涉及Formula I的烷基喹啉和烷基喹噁啉化合物： 其中R1、R2、R3、B、Z、G、Q和X如本文所定义，所述化合物的用途为蛋白酪氨酸激酶调节剂，特别是FLT3和/或c-kit和/或TrkB的抑制剂，所述化合物的用途为在细胞或受试者中减少或抑制FLT3和/或c-kit和/或TrkB的激酶活性，以及所述化合物的用途为预防或治疗受试者的细胞增殖紊乱和/或与FLT3和/或c-kit和/或TrkB相关的紊乱。本发明还涉及包括本发明化合物的药物组合物，以及治疗癌症和其他细胞增殖紊乱等疾病的方法。
• Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of STAT protein
  申请人：University of Central Florida Research Foundation, Inc.

  公开号：US10196373B2

  公开（公告）日：2019-02-05

  In one aspect, the invention relates to substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs, derivatives thereof, and related compounds, which are useful as inhibitors of STAT protein activity; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating disorders of uncontrolled cellular proliferation associated with a STAT protein activity dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，该发明涉及替代的2-羟基-4-(2-(苯磺酰胺基)乙酰胺基)苯甲酸类似物，其衍生物和相关化合物，这些化合物可用作STAT蛋白活性的抑制剂；制备这些化合物的合成方法；包含这些化合物的药物组合物；以及使用这些化合物和组合物治疗与STAT蛋白活性功能障碍相关的细胞不受控制增殖疾病的方法。本摘要旨在作为在特定领域进行搜索的扫描工具，并不打算限制本发明。