2-吡咯烷基噻唑 | 524674-17-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-吡咯烷基噻唑
• 中文别名: 2-(2-吡咯烷基)噻唑
• 英文名称: 2-(pyrrolidin-2-yl)thiazole
• 英文别名: 2-(2-Pyrrolidinyl)-1,3-thiazole；2-pyrrolidin-2-yl-1,3-thiazole
• CAS: 524674-17-7
• 化学式: C₇H₁₀N₂S
• mdl: MFCD04966887
• 分子量: 154.236
• InChiKey: OHXHYELTRYIFII-UHFFFAOYSA-N

物化性质

• 沸点：
  257℃
• 密度：
  1.171
• 闪点：
  109℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(Pyrrolidin-1-yl)-1,3-thiazole
Synonyms: 2-(Pyrrolidin-1-yl)-1,3-thiazole

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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: 2-(Pyrrolidin-1-yl)-1,3-thiazole
CAS number: 524674-17-7

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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: C7H10N2S
Molecular weight: 154.2

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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, sulfur 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：

  2-吡咯烷基噻唑 在 吗啉 、 1-羟基苯并三唑 、 1,2-二氯乙烷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 68.0h， 生成 dechloro-smenothiazole A
  参考文献：
  名称：

  探索海绵状共生菌Pakkortis symbiotica–Xestospongia deweerdtae作为抗菌化合物的潜在来源，并通过转移总合成探索Smenothiazole A的抗结核药性

  摘要：

  从波多黎各的两个共生性海绵体Plakortis symbiotica – Xestospongia deweerdtae的两个集合中分离出具有生物活性的CHCl 3 -MeOH（1：1）提取物，提供了两个新的plakinidone类似物，分别称为plakinidone B（2）和plakinidone C（3），以及已知的Plakinidone（1），Plakortolide F（4）和Smenothiazole A（5）。的结构1 - 5进行了表征1D和2D NMR光谱学，IR，UV，和HRMS分析的基础上。plakinidones 2和3的绝对构型通过化学相关方法，VCD / ECD实验和光谱数据比较建立。当在体外测定对结核分枝杆菌ħ 37 RV，没有plakinidones的1 - 3显示显著活性，而smenothiazole A（5）是最活跃的化合物，表现出4.1微克/毫升的MIC

  DOI：

  10.1021/acs.jnatprod.7b00300

文献信息

• CHEMICAL COMPOUNDS
  申请人：Deng Jianghe

  公开号：US20090143372A1

  公开（公告）日：2009-06-04

  The invention is directed to novel indole carboxamide derivatives. Specifically, the invention is directed to compounds according to formula I: where R1, R2, R3, U and V are defined below and to pharmaceutically acceptable salts thereof. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  这项发明涉及新型吲哚羧酰胺衍生物。具体而言，该发明涉及符合以下式I的化合物： 其中R1、R2、R3、U和V如下定义，并且其药学上可接受的盐。该发明的化合物是IKK2的抑制剂，可用于治疗与不当IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘和慢性阻塞性肺病（COPD）。因此，该发明进一步涉及包含该发明化合物的药物组合物。该发明还进一步涉及使用该发明化合物或包含该发明化合物的药物组合物抑制IKK2活性和治疗相关疾病的方法。
• PYRROLOTRIAZINE KINASE INHIBITORS
  申请人：Fink E. Brian

  公开号：US20080045496A1

  公开（公告）日：2008-02-21

  The present invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity of such as TrkA, TrkB, TrkC, Jak2, Jak3 and CK2, thereby making them useful as antiproliferative agents for the treatment of cancer and other diseases.

  本发明提供了公式I的化合物以及药用可接受的盐类。公式I的化合物可以抑制诸如TrkA、TrkB、TrkC、Jak2、Jak3和CK2的酪氨酸激酶活性，从而使其作为抗增殖剂用于治疗癌症和其他疾病的有用性。
• SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20200385345A1

  公开（公告）日：2020-12-10

  The present invention provides a substituted pyrrolidine compound having an orexin type 2 receptor agonist activity. A compound represented by the formula (I): wherein each symbol is as described in the specification, or a salt thereof, has an orexin type 2 receptor agonist activity, and is useful as an agent for the prophylaxis or treatment of narcolepsy.

  本发明提供一种具有促进促觉素2型受体激动剂活性的取代吡咯烷化合物。一种由式(I)表示的化合物：其中每个符号如规范中所述，或其盐，具有促觉素2型受体激动剂活性，并可用作预防或治疗嗜睡症的药物。
• [EN] AZAINDOLES AS JANUS KINASE INHIBITORS<br/>[FR] AZAINDOLES EN TANT QU'INHIBITEURS DE JANUS KINASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2013052355A1

  公开（公告）日：2013-04-11

  The instant invention provides compounds of formula I which are JAK inhibitors, and as such are useful for the treatment of JAK-mediated diseases such as rheumatoid arthritis, asthma, COPD and cancer.

  本发明提供了公式I的化合物，这些化合物是JAK抑制剂，因此可用于治疗JAK介导的疾病，如类风湿关节炎、哮喘、慢性阻塞性肺疾病和癌症。
• [EN] SERINE/THREONINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE SÉRINE/THRÉONINE KINASE
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2012118850A1

  公开（公告）日：2012-09-07

  Compounds having the formula I wherein Z, Z1 Z2 Z3, R3a, R3b and Rb and as defined herein are inhibitors of ERK kinase. Also disclosed are compositions and methods for treating hyperproliferative disorders.

  具有公式I的化合物，其中Z，Z1，Z2，Z3，R3a，R3b和Rb如本文所定义，是ERK激酶抑制剂。还公开了用于治疗过度增殖性疾病的组合物和方法。