4-氧代-1-哌啶羧酰胺 | 306976-42-1

• 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-氧代-1-哌啶羧酰胺
• 英文名称: 1-carbamoyl-4-piperidone
• 英文别名: 4-Oxopiperidine-1-carboxamide
• CAS: 306976-42-1
• 化学式: C₆H₁₀N₂O₂
• mdl: MFCD00665157
• 分子量: 142.158
• InChiKey: HJBPZASQNKLIBH-UHFFFAOYSA-N

物化性质

• 沸点：
  298.0±50.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  63.4
• 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-Oxopiperidine-1-carboxamide
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H319: Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Oxopiperidine-1-carboxamide
CAS number: 306976-42-1

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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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H10N2O2
Molecular weight: 142.2

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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-氧代-1-哌啶羧酰胺 、 4-氧代哌啶酮盐酸盐 在 sodium cyanoborohydride 作用下， 以 溶剂黄146 为溶剂， 生成 4-amino-piperidine-1-carboxylic acid amide
  参考文献：
  名称：

  N-Heterocyclic-9-xanthenylamines

  摘要：

  这些化合物是N-哌啶基和吡咯啉基-9-黄色素胺，它们是胃酸分泌抑制剂。

  公开号：

  US04005208A1

文献信息

• 6- (Heterocyclyl-substituted Benzyl) -4-Oxoquinoline Compound and Use Thereof as HIV Integrase Inhibitor
  申请人：SATOH Motohide

  公开号：US20080207618A1

  公开（公告）日：2008-08-28

  The present invention relates to a compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof, or a solvate thereof, and a pharmaceutical composition, an anti-HIV agent and an HIV integrase inhibitor containing such compound. The compound of the present invention has an HIV integrase inhibitory activity, and is useful as an anti-HIV agent, or as an agent for the prophylaxis or treatment of AIDS. In addition, by the combined use with other anti-HIV agents such as a protease inhibitor, a reverse transcriptase inhibitor and the like, it can be a more effective anti-HIV agent. Because it shows integrase-specific high inhibitory activity, the compound can be a pharmaceutical agent safe on human body, which causes only a fewer side effects.

  本发明涉及以下式[I]所表示的化合物，其中每个符号如规范中所定义，或其药学上可接受的盐，或其溶剂合物，以及含有此类化合物的药物组合物，抗HIV药物和HIV整合酶抑制剂。本发明的化合物具有HIV整合酶抑制活性，并可用作抗HIV药物，或用作艾滋病的预防或治疗药物。此外，通过与其他抗HIV药物（如蛋白酶抑制剂、逆转录酶抑制剂等）的联合使用，可以使其成为更有效的抗HIV药物。由于它显示出整合酶特异性的高抑制活性，该化合物可以成为对人体安全的药物，仅引起较少的副作用。
• Active substance combination for the treatment of diabetes
  申请人：Laboratorios del Dr. Esteve S.A.

  公开号：EP1946778A1

  公开（公告）日：2008-07-23

  The present invention relates to an active substance combination comprising at least one substituted pyrazoline compound and at least one drug, used to treat diabetes, a medicament comprising said active substance combination, a pharmaceutical formulation comprising said active substance combination and the use of said active substance combination for the manufacture of a medicament.

  本发明涉及一种活性物质组合，包括至少一种取代吡唑啉化合物和至少一种药物，用于治疗糖尿病，包括该活性物质组合的药物、包括该活性物质组合的制药配方以及利用该活性物质组合制造药物的用途。
• Substituted pyrazoline for preventing weight gain
  申请人：Laboratorios del Dr. Esteve S.A.

  公开号：EP1946777A1

  公开（公告）日：2008-07-23

  The present invention relates to an active substance combination comprising at least one substituted pyrazoline compound and at least one drug, known to produce weight-gain as a side effect, a medicament comprising said active substance combination, a pharmaceutical formulation comprising said active substance combination and the use of said active substance combination for the manufacture of a medicament.

  本发明涉及一种活性物质组合，包括至少一种取代吡唑啉化合物和至少一种药物，该药物以体重增加作为副作用而知名，包括所述活性物质组合的药物、包括所述活性物质组合的药物制剂、以及利用所述活性物质组合制造药物。
• [EN] COMPOSITIONS AND METHODS FOR DRUG-SENSITIZATION OR INHIBITION OF A CANCER CELL<br/>[FR] COMPOSITIONS ET PROCÉDÉS DE SENSIBILISATION AUX MÉDICAMENTS OU D'INHIBITION D'UNE CELLULE CANCÉREUSE
  申请人：TEXAS A & M UNIV SYS

  公开号：WO2014036309A1

  公开（公告）日：2014-03-06

  The disclosure provides rifamycin and rifamycin derivative compositions, including rifabutin and rifabutin derivative compositions able to cause drug-sensitization in a cancer cell or inhibition of a cancer cell. The disclosure also provides methods of administering such compositions to cancer cells to sensitize them to drugs, such as chemotherapeutics, or directly inhibit them. The disclosure also provides methods of administering such compositions to increase reactive oxygen species (ROS), particularly superoxides, in cancer cells. The disclosure further provides methods of determining whether a cancer will respond to chemotherapeutics and whether to administer rifamycin or a rifamycin derivative based on ROS levels in cancer cells of a patient.

  本披露提供利福霉素和利福霉素衍生物组合物，包括能够导致癌细胞药物敏感性或抑制癌细胞的利福布丁和利福布丁衍生物组合物。本披露还提供了将这些组合物直接注入癌细胞或注射药物，如化疗药物，以增强癌细胞对药物的敏感性的方法。本披露还提供了将这些组合物注入癌细胞以增加反应性氧化物种（ROS），尤其是超氧化物，在癌细胞中的方法。本披露还提供了一种确定癌细胞是否对化疗药物产生反应以及是否基于患者癌细胞中的ROS水平注射利福霉素或利福霉素衍生物的方法。
• [EN] PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS<br/>[FR] COMPOSES DE QUINAZOLINE, A ACTIVITE PHARMACEUTIQUE
  申请人：ASTRA PHARMACEUTICALS LIMITED

  公开号：WO1997014686A1

  公开（公告）日：1997-04-24

  (EN) Compounds of formula (I) wherein R1 and R19 independently represent hydrogen, alkyl C1 to 6, alkoxy C1 to 6, alkylthio C1 to 6, halogen, hydroxyl or amino; R2 represent H or alkyl; R3 represents phenyl, a 6-membered heterocyclic aromatic ring containing one or two nitrogen atoms, or a 5-membered heterocylic aromatic ring containing 1 to 3 heteroatoms selected from O, N and S, which phenyl or heterocyclic aromatic ring may be optionally substituted by alkyl C1 to 6, alkoxy C1 to 6, halogen, hydroxyl, alkylthio C1 to 6, cyano, trifluoromethyl, nitro, hydroxymethyl, amino, a group -(CH2)c.NHCO2R10, a group -(CH2)c.NR5R6, or a group -CO2R11, or R3 represents hydrogen or alkyl C1 to 8, which alkyl group may be optionally susbtituted by amino or a group -NHCO2R10; and R4 represents hydrogen or alkyl C1 to 6; or R3 and R4 taken together represent a group (CH2)a.Z.(CH2)b; c represents an integer 0 to 2; and pharmaceutically acceptable salts thereof, have been found to be useful as a pharmaceuticals. The compounds may especially be used in the treatment of inflammatory disorders.(FR) Cette invention concerne des composés de formule (I) où R1 et R19 représentent indépendamment hydrogène, alkyle C 1-6, alcoxy C1 à 6, alkylthio C 1-6, halogène, hydroxyle ou amino; R2 représente H ou alkyle; R3 représente phényle, un noyau aromatique hétérocyclique à 6 éléments contenant un ou deux atomes d'azote, ou encore un noyau aromatique hétérocyclique à 5 éléments contenant de 1 à 3 hétéroatomes choisis parmi O, N et S, le phényle ou l'anneau aromatique hétérocyclique pouvant éventuellement être substitués par alkyle C 1-6, alcoxy C 1-6, halogène, hydroxyle, alkylthio C 1-6, cyano, trifluorométhyle, nitro, hydroxyméthyle, amino, un groupe -(CH2)c.NHCO2R10, un groupe -(CH2)c.NR5R6 ou un groupe -CO2R11. R3 peut également représenter hydrogène ou alkyle C1-8, ce groupe alkyle pouvant éventuellement être substitué par amino ou un groupe -NHCO2R10. R4 représente hydrogène ou alkyle C 1-6, R3 et R4 pouvant également représenter, lorsqu'ils sont pris ensemble, un groupe (CH2)a.Z.(CH2)b. c vaut, quant à lui, un nombre entier compris entre 0 et 2. Cette invention concerne également les sels de ces composés acceptables sur le plan pharmaceutique, lesquels composés se sont avérés utiles en qualité d'agents pharmaceutiques. Ces composés peuvent notamment être utilisés dans le traitement de troubles de type inflammatoire.

  化合物的式子为（I），其中R1和R19分别独立地表示氢、C1至6烷基、C1至6烷氧基、C1至6烷基硫基、卤素、羟基或氨基；R2表示氢或烷基；R3表示苯基、含有一个或两个氮原子的6元杂环芳香环，或含有1至3个从O、N和S中选择的杂原子的5元杂环芳香环，该苯基或杂环芳香环可以选择性地被C1至6烷基、C1至6烷氧基、卤素、羟基、C1至6烷基硫基、氰基、三氟甲基、硝基、羟甲基、氨基、一个-(CH2)c.NHCO2R10基团、一个-( )c.NR5R6基团或一个-CO2R11基团所取代，或者R3表示氢或C1至8烷基，该烷基可以选择性地被氨基或一个-NHCO2R10基团所取代；R4表示氢或C1至6烷基；或者R3和R4一起表示一个( )a.Z.( )b基团；c表示整数0至2；以及其药学上可接受的盐，已被发现可用作药物。该化合物特别适用于治疗炎症性疾病。