N-异丙基-1-哌啶乙酰胺 | 39890-42-1

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-异丙基-1-哌啶乙酰胺
• 中文别名: N-异丙基-2-哌嗪基乙酰胺；N-异丙基-1-哌嗪乙酰胺
• 英文名称: N-isopropyl-1-piperazineacetamide
• 英文别名: N-isopropyl-2-(piperazin-1-yl)acetamide；N-isopropyl 2-piperazine-1-ylacetamide；isopropyl-amino-carbonyl-methyl-piperazine；2-piperazin-1-yl-N-propan-2-ylacetamide
• CAS: 39890-42-1
• 化学式: C₉H₁₉N₃O
• mdl: MFCD00005969
• 分子量: 185.269
• InChiKey: FFOHTSTWXWJGQR-UHFFFAOYSA-N

物化性质

• 熔点：
  82-88 °C
• 沸点：
  319.5°C (rough estimate)
• 密度：
  1.0376 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  44.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S24/25
• 海关编码：
  2933599090

SDS

Name:	N-Isopropyl-1-Piperazineacetamide 95+% Material Safety Data Sheet
Synonym:	None
CAS:	39890-42-1

Section 1 - Chemical Product MSDS Name:N-Isopropyl-1-Piperazineacetamide 95+% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
39890-42-1	N-Isopropyl-1-Piperazineacetamide	95+	254-676-9

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: 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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 39890-42-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Powder
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 86.00 - 89.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H19N3O
Molecular Weight: 185.27

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 39890-42-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Isopropyl-1-Piperazineacetamide - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 39890-42-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 39890-42-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 39890-42-1 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：

  N-异丙基-1-哌啶乙酰胺 在 吡啶 作用下， 以 苯 为溶剂， 反应 16.0h， 生成 [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
  参考文献：
  名称：

  Synthesis and Antitumor Activity of 20(S)-Camptothecin Derivatives: Carbamate-Linked, Water-Soluble Derivatives of 7-Ethyl-10-hydroxycamptothecin.

  摘要：

  Nevel 36衍生物（6个）通过单氨基甲酸酯连接，将7-乙基-10-羟基喜树碱（4）的酚羟基与二胺结合，经过合成并在体内评估了它们的抗肿瘤活性。这些衍生物作为盐酸盐在水中有较好的溶解度，且其E内酯环保持完整，并表现出显著的抗肿瘤活性。其中一种衍生物6-27对L1210白血病和其他小鼠肿瘤显示出极佳的活性。其三水合盐酸盐（CPT-11）的结构通过光谱学和结晶学方法得以确定。

  DOI：

  10.1248/cpb.39.1446
• 作为产物：
  描述：

  2-溴-N-异丙基乙酰胺 在 盐酸 、 sodium carbonate 作用下， 以 乙酸乙酯 、 乙腈 为溶剂， 反应 3.0h， 生成 N-异丙基-1-哌啶乙酰胺
  参考文献：
  名称：

  UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE

  摘要：

  本文描述了一种化合物，其化学式为（I），以及其药用盐。本文还描述了这些组合物以及在治疗各种疾病和症状的方法中使用这些组合物，特别是克拉贝氏病（KD）和间染色质白质脑病（MLD）。

  公开号：

  US20200102324A1

文献信息

• Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds
  申请人：Abbott Laboratories

  公开号：US20040116518A1

  公开（公告）日：2004-06-17

  The present invention relates to novel cinnamide compounds that are useful for treating inflammatory and immune diseases and cerebral vasospasm, to pharmaceutical compositions containing these compounds, and to methods of inhibiting inflammation or suppressing immune response in a mammal.

  本发明涉及新型肉桂酰胺化合物，用于治疗炎症和免疫性疾病以及脑血管痉挛，以及含有这些化合物的药物组合物，以及在哺乳动物中抑制炎症或抑制免疫反应的方法。
• P38 inhibitors and methods of use thereof
  申请人：——

  公开号：US20040192653A1

  公开（公告）日：2004-09-30

  This invention relates to inhibitors of p38, and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing the inhibitors and pharmaceutical compositions in the treatment and prevention of various disorders mediated by p38.

  这项发明涉及p38的抑制剂，以及生产这些抑制剂的方法。该发明还提供了包括该发明的抑制剂的药物组合物，以及利用这些抑制剂和药物组合物在治疗和预防由p38介导的各种疾病中的方法。
• [EN] PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES<br/>[FR] DÉRIVÉS DE PHÉNOXYPYRIDINYLAMIDE ET LEUR UTILISATION DANS LE TRAITEMENT D'ÉTATS PATHOLOGIQUES INDUITS PAR LA PHOSPHODIÉSTERASE 4 (PDE4)
  申请人：ASTRAZENECA AB

  公开号：WO2009144494A1

  公开（公告）日：2009-12-03

  The present invention provides a compound of a formula (I), wherein the variables are defined herein; to a process for preparing such a compound; and to the use of such a compound in the treatment of a PDE4 mediated disease state.

  本发明提供了一种化合物的公式(I)，其中变量在此定义；以及制备这种化合物的方法；以及在治疗PDE4介导的疾病状态中使用这种化合物。
• [EN] BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS<br/>[FR] COMPOSÉS BIARYLES UTILES EN TANT QU'IMMUNOMODULATEURS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018044963A1

  公开（公告）日：2018-03-08

  The present disclosure generally relates to compounds useful as immunomodulators. Provided herein are compounds, compositions comprising such compounds, and methods of their use. The disclosure further pertains to pharmaceutical compositions comprising at least one compound according to the disclosure that are useful for the treatment of various diseases, including cancer and infectious diseases.

  本公开涉及通常用作免疫调节剂的化合物。本文提供了包含这些化合物的组合物，以及它们的使用方法。该公开进一步涉及包含至少一种根据本公开的化合物的药物组合物，用于治疗各种疾病，包括癌症和传染病。
• Piperazine N-substituted naphthyridines, pyridothienopyrimidines and pyridothienotriazines: new antiprotozoals active against Philasterides dicentrarchi
  作者：José M Quintela、Carlos Peinador、Liliana González、Raúl Iglesias、Anabel Paramá、Francisca Álvarez、Manuel L Sanmartı́n、Ricardo Riguera

  DOI：10.1016/s0223-5234(03)00032-1

  日期：2003.3

  New antiprotozoals active against Philasterides dicentrarchi, the causative agent of scuticociliatosis in farmed turbot and Black Sea bass-bream, have been synthesised and tested. The most active compounds posses a piperazine ring, generally N-bonded to the heterocycle, and are the 1,8-naphthyridines, 2f and 5o, the pyridothienopyrimidine (7), and the pyridothienotriazines, 8, 9, 12d, 12f, 12h, 12m

  合成和测试了新的抗原生动物动物，它们对养殖费氏鱼和黑海鲈鱼中的刀oci病的致病因子Philasterides dicentrarchi具有活性。活性最高的化合物通常具有N键合至杂环的哌嗪环，分别为1,8-萘啶2f和5o，吡啶并吡啶并嘧啶（7）和吡啶并噻吩并三嗪8、9、12d，12f，12h， 12m和12k。吡啶并三嗪（12k）具有与众所周知的抗寄生虫药niclosamide和oxyclozanide相同的活性（致死剂量，LD = 0.8 / 1.5 mg L（-1））。

表征谱图