4-(1H-咪唑-4-基)哌啶 | 106243-23-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-(1H-咪唑-4-基)哌啶
• 中文别名: 4-(1H-4(5)-咪唑)哌啶
• 英文名称: 4-(1H-imidazol-4-yl)-piperidine
• 英文别名: 4-(1H-imidazole-4-yl)piperidine；4-(1H-imidazol-5-yl)piperidine
• CAS: 106243-23-6
• 化学式: C₈H₁₃N₃
• 分子量: 151.211
• InChiKey: NNDJCSXUAYKMAA-UHFFFAOYSA-N

物化性质

• 沸点：
  368.1±35.0 °C(Predicted)
• 密度：
  1.094±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  40.7
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(1H-Imidazole-4(5)-yl) piperidine
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-(1H-Imidazole-4(5)-yl) piperidine
CAS number: 106243-23-6

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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, refrigerated.
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: C8H13N3
Molecular weight: 151.2

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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：

  4-(1H-咪唑-4-基)哌啶 在 palladium on activated charcoal 盐酸 、 氢气 、 sodium carbonate 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、310.27 kPa 条件下， 反应 37.17h， 生成 2-amino-4-(1'-acetyl-4'-piperidyl)imidazole
  参考文献：
  名称：

  Bordi; Mor; Plazzi, Il Farmaco, 1992, vol. 47, # 11, p. 1343 - 1365

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(1H-咪唑-4-基)哌啶-1-羧酸叔丁酯 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以93%的产率得到4-(1H-咪唑-4-基)哌啶
  参考文献：
  名称：

  一种谷氨酰胺酰基环化酶同工酶抑制剂及其制备方法与应用

  摘要：

  本发明提供了一种谷氨酰胺酰基环化酶同工酶抑制剂及其制备方法与应用，其中，所述谷氨酰胺酰基环化酶同工酶抑制剂为一种具有新型结构骨架的化合物本发明提供的该类新型抑制剂的制备方法，原料易得，制备方法简单可行。本发明提供的抑制剂显著扩大了谷氨酰胺酰基环化酶同工酶抑制剂分子结构多样性，可广泛应用于制备治疗谷氨酰胺酰基环化酶同工酶特异性高表达相关疾病的药物和应用于制备诊断谷氨酰胺酰基环化酶同工酶特异性高表达相关疾病的试剂盒。

  公开号：

  CN114874186A

文献信息

• [DE] AUSGEWÄHLTE CGRP-ANTAGONISTEN, VERFAHREN ZU DEREN HERSTELLUNG SOWIE DEREN VERWENDUNG ALS ARZNEIMITTEL<br/>[EN] SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT<br/>[FR] ANTAGONISTES DU CGRP SELECTIONNES, PROCEDES DE PRODUCTION ET D'UTILISATION COMME MEDICAMENTS DESDITS ANTAGONISTES
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2004037810A1

  公开（公告）日：2004-05-06

  Gegenstand der vorliegenden Erfindung sind die CGRP-Antagonisten der allgemeinen Formel (I), in der A, U, V, W, X und R1 bis R 3 wie in Anspruch 1 definiert sind, deren Tautomere, deren Diastereomere, deren Enantiomere, deren Hydrate, deren Gemische und deren Salze sowie die Hydrate der Salze, insbesondere deren physiologisch verträgliche Salze mit anorganischen oder organischen Säuren, diese Verbindungen enthaltende Arzneimittel, deren Verwendung und Verfahren zu ihrer Herstellung.

  本发明的对象是CGRP拮抗剂的一般公式（I）中的CGRP拮抗剂，其中A、U、V、W、X和R1至R3如权利要求1中定义，其互变异构体，其对映异构体，其差向异构体，其水合物，其混合物及其盐以及盐的水合物，尤其是其与无机或有机酸形成的生理耐受盐，含有这些化合物的药物，其用途以及其制备方法。
• [EN] HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES
  申请人：KYORIN SEIYAKU KK

  公开号：WO2015129927A1

  公开（公告）日：2015-09-03

  Provided herein are compounds of formula I and compositions containing the compounds. The compounds and compositions are useful in the methods of inhibiting the action of ERK5, a BET family protein or both. In certain embodiments, the compounds and compositions are useful in the prevention, amelioration or treatment of a ERK5 -mediated disease, a BET protein-mediated disease or both.

  本文提供了公式I的化合物和含有这些化合物的组合物。这些化合物和组合物在抑制ERK5的作用、BET家族蛋白的作用或两者的方法中是有用的。在某些实施方式中，这些化合物和组合物在预防、改善或治疗ERK5介导的疾病、BET蛋白介导的疾病或两者的方法中是有用的。
• [EN] METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE MÉTALLO-BÊTA-LACTAMASE ET LEURS MÉTHODES D'UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2019018186A1

  公开（公告）日：2019-01-24

  The present invention relates to metallo-β-lactamase inhibitor compounds of Formula (I) and pharmaceutically acceptable salts thereof, wherein Z, RA, X1, X2 and R1 are as defined herein. The present invention also relates to compositions which comprise a metallo-β-lactamase inhibitor compound of the invention or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, optionally in combination with a beta lactam antibiotic and/or a beta-lactamase inhibitor. The invention further relates to methods for treating a bacterial infection comprising administering to a patient a therapeutically effective amount of a compound of the invention, in combination with a therapeutically effective amount of one or more β-lactam antibiotics and optionally in combination with one or more beta-lactamase inhibitor compounds. The compounds of the invention are useful in the methods described herein for overcoming antibiotic resistance.

  本发明涉及具有以下结构的金属β-内酰胺酶抑制剂化合物的药物学可接受的盐，其中Z、RA、X1、X2和R1如本文所定义。本发明还涉及包含本发明的金属β-内酰胺酶抑制剂化合物或其药学上可接受的盐以及药学上可接受的载体的组合物，可选地与β-内酰胺类抗生素和/或β-内酰胺酶抑制剂结合。该发明还涉及治疗细菌感染的方法，包括向患者投予本发明化合物的治疗有效量，结合治疗有效量的一种或多种β-内酰胺类抗生素，可选地结合一种或多种β-内酰胺酶抑制剂化合物。本发明的化合物在克服抗生素耐药性的方法中具有用处。
• (4-imidazolyl)piperidines, the preparation thereof and their application
  申请人：Institut National de la Sante et de la Recherche Medicale (Inserm)

  公开号：US04707487A1

  公开（公告）日：1987-11-17

  Compounds of general formula ##STR1## in which R.sub.1 denotes H, CH.sub.3 or C.sub.2 H.sub.5, R denotes H or R.sub.2 and R.sub.2 denotes an alkyl, piperonyl, 3-(1-benzimidazolonyl)-propyl group; a group of formula ##STR2## in which n is 0, 1, 2, or 3, X is a single bond or alternatively --O--, --S--, --NH--, --CO--, --CH.dbd.CH-- or ##STR3## and R.sub.3 is H, CH.sub.3, F, CN or an acyl group; or alternatively a group of formula ##STR4## in which Z denotes an O or S atom or a divalent group NH, N --CH.sub.3 or N --CN, and R.sub.5 denotes an alkyl group, a cycloalkyl group which can bear a phenyl substituent, a phenyl group which can bear a CH.sub.3 or F substituent, a phenylalkyl(1-3 C) group or a naphthyl, adamantyl or p-toluenesulphonyl group. These compounds are useful to control the release of cerebral histamine and to increase the rate of renewal of cerebral histamine.

  通式为##STR1##的化合物，其中R.sub.1表示H、CH.sub.3或C.sub.2 H.sub.5，R表示H或R.sub.2，R.sub.2表示烷基、哌啶基、3-(1-苯并咪唑基)-丙基基团的一种；通式为##STR2##的基团，其中n为0、1、2或3，X为单键或者--O--、--S--、--NH--、--CO--、--CH.dbd.CH--或##STR3##，R.sub.3为H、CH.sub.3、F、CN或酰基；或者通式为##STR4##的基团，其中Z表示O或S原子或双价基团NH、N --CH.sub.3或N --CN，R.sub.5表示烷基、环烷基（可带苯基取代基）、苯基（可带CH.sub.3或F取代基）、苯基烷基（1-3 C）基团或萘基、金刚烷基或对甲苯磺酰基团。这些化合物对控制大脑组织中组织胺的释放和增加大脑组织胺的更新速率很有用。
• SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20190308950A1

  公开（公告）日：2019-10-10

  Substituted pyrimidine and pyridines as NR2B receptor ligands. Such compounds may be used in NR2B receptor modulation and in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by NR2B receptor activity.

  用嘧啶和吡啶替代作为NR2B受体配体。这些化合物可用于NR2B受体调节以及用于治疗由NR2B受体活性介导的疾病状态、紊乱和病况的药物组合物和方法。