4-(5-溴噻唑-2-基)吗啉 | 933728-73-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-(5-溴噻唑-2-基)吗啉
• 英文名称: 4-(5-bromothiazol-2-yl)morpholine
• 英文别名: 4-(5-bromo-1,3-thiazol-2-yl)morpholine
• CAS: 933728-73-5
• 化学式: C₇H₉BrN₂OS
• 分子量: 249.131
• InChiKey: UJOKEKHNLUXDEY-UHFFFAOYSA-N

物化性质

• 沸点：
  348.6±52.0 °C(Predicted)
• 密度：
  1.642±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  53.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P301+P310
• 危险品运输编号：
  2811
• 危险性描述：
  H301

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(5-Bromothiazol-2-yl)morpholine
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-(5-Bromothiazol-2-yl)morpholine
CAS number: 933728-73-5

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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: C7H9BrN2OS
Molecular weight: 249.1

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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, hydrogen bromide, 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：

  4-(5-溴噻唑-2-基)吗啉 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 水 、 sodium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine
  参考文献：
  名称：

  [EN] PYRROLE FUSED-RING PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF
  [FR] COMPOSÉ PYRAZOLE À CYCLE FUSIONNÉ DE PYRROLE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  [ZH] 一种吡咯稠环吡唑类化合物及其制备方法和用途

  摘要：

  本发明属于医药技术领域，具体涉及式（I）的吡咯稠环吡唑类化合物或其药学上可接受的盐，本发明还涉及所述化合物的药物制剂、药物组合物及其应用，所述化合物可用于制备治疗或者预防由HPK1介导的相关疾病的药物的用途。

  公开号：

  WO2023131271A1
• 作为产物：
  描述：

  吗啉 、 2,5-二溴噻唑 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以72 %的产率得到4-(5-溴噻唑-2-基)吗啉
  参考文献：
  名称：

  [EN] PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE
  [FR] COMPOSÉS PYRIDO[3,2-D]PYRIMIDINE ET LEURS UTILISATIONS POUR LE TRAITEMENT D'UNE MALADIE PROLIFÉRATIVE

  摘要：

  化合物、组合物及其在治疗增殖性疾病或病症中的用途，如上述增殖性疾病或病症与RAF基因突变和/或RAS基因突变有关。所公开的化合物为式 I 或其药学上可接受的盐或溶液，其中 R1、R2、R3、X1、X2、X3 和 X4 如本文所定义：。

  公开号：

  WO2022221939A1

文献信息

• Copper-Catalyzed Electrophilic Amination of Heteroarenes and Arenes by CH Zincation
  作者：Stacey L. McDonald、Charles E. Hendrick、Qiu Wang

  DOI：10.1002/anie.201311029

  日期：2014.4.25

  Direct amination of heteroarenes and arenes has been achieved in a one‐pot CH zincation/copper‐catalyzed electrophilic amination procedure. This amination method provides an efficient and rapid approach to access a diverse range of heteroaromatic and aromatic amines including those previously inaccessible using CH amination methods. The mild reaction conditions and good functional‐group compatibility

  杂芳烃和芳烃的直接胺化已经在一锅C - H锌化/铜催化的亲电胺化过程中实现。这种胺化方法提供了一种高效、快速的方法来获得各种杂芳胺和芳香胺，包括以前使用 C - H 胺化方法无法获得的胺。温和的反应条件和良好的官能团相容性证明了其在合成重要且复杂的胺类方面的巨大潜力。
• Syk 억제제
  申请人：GILEAD SCIENCES, INC. 길리애드 사이언시즈, 인코포레이티드(519990290219)

  公开号：KR20160037198A

  公开（公告）日：2016-04-05

  본 개시내용은 Syk 억제제인 화합물, 및 암 및 염증성 상태를 비롯한 다양한 질환 상태의 치료에서의 그의 용도에 관한 것이다. 특정한 실시양태에서, 화합물의 구조는 하기 화학식 I로 주어진다. 003c#화학식 I003e# 상기 식에서, X, X, X, R, R, R, R, 및 Y는 본원에 기재된 바와 같다. 본 개시내용은 화학식 I의 화합물 또는 그의 제약상 허용되는 염을 포함하는 제약 조성물, 및 Syk에 의해 매개되는 상태를 치료하기 위해 이들 화합물 및 조성물을 사용하는 방법을 추가로 제공한다.

  This text appears to be a scientific or technical document discussing the therapeutic uses of a compound called Syk inhibitor in the treatment of various conditions including cancer and inflammatory diseases. It also mentions the chemical structure of the compound given by the chemical formula I. In the formula, X, X, X, R, R, R, R, and Y are as described in the specification. The document further provides methods for using these compounds and compositions containing compounds or salts thereof of the chemical formula I to treat conditions mediated by Syk.
• 2-AMINOPYRIDINE KINASE INHIBITORS
  申请人：Steinig Arno G.

  公开号：US20090197862A1

  公开（公告）日：2009-08-06

  2-Aminopyridine compounds having the structure of Formula I, and pharmaceutically acceptable salts of these compounds. Compounds of Formula I inhibit the activity of tyrosine kinase enzymes in animals, including humans, and are useful in the treatment and/or prevention of various diseases and conditions. In particular, compounds disclosed herein are inhibitors of kinases, in particular, but not limited to, KDR, Tie-2, Flt3, FGFR3, Ab1, Aurora A, c-Src, IGF-1R, ALK, c-MET, RON, PAK1, PAK2, and TAK1, and can be used in the treatment of proliferative diseases, such as, but not limited to, cancer. The present invention is also directed to a pharmaceutical composition comprising a therapeutically effective amount of a compound of Formula I, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier. The present invention is further directed to a method of treating a patient having a condition which is mediated by protein kinase activity by administering to the patient a therapeutically effective amount of the above-mentioned pharmaceutical composition.

  具有Formula I结构的2-氨基吡啶化合物，以及这些化合物的药用可接受的盐。Formula I的化合物抑制动物（包括人类）中的酪氨酸激酶酶活性，并可用于治疗和/或预防各种疾病和病况。特别地，本文披露的化合物是激酶抑制剂，特别是但不限于KDR、Tie-2、Flt3、FGFR3、Ab1、Aurora A、c-Src、IGF-1R、ALK、c-MET、RON、PAK1、PAK2和TAK1，并可用于治疗增生性疾病，如但不限于癌症。本发明还涉及一种包含Formula I化合物的药物组合物，或其药用可接受的盐，以及药用可接受的载体的药物组合物。本发明还涉及一种通过向患有由蛋白激酶活性介导的病症的患者投与上述药物组合物的治疗方法。
• 一种高效盐诱导激酶抑制剂及其制备方法
  申请人：南京谷睿生物科技有限公司

  公开号：CN113336751A

  公开（公告）日：2021-09-03

  本发明公开了一种高效盐诱导激酶抑制剂及其制备方法，其特征在于：包括化学式的物质：本发明提供了一种具有优良性能的盐诱导激酶抑制剂具有较高的体外实验的抑制活性，同时还具有较高的细胞抑制活性。
• GUANIDINE COMPOUND
  申请人：Astellas Pharma Inc.

  公开号：US20130143860A1

  公开（公告）日：2013-06-06

  [Problem] The present invention provides a compound which is useful as an active ingredient of a pharmaceutical composition, in particular, a pharmaceutical composition for preventing and/or treating VAP-1-related diseases. [Means for Solution] The present inventors have conducted intensive studies on a compound having a VAP-1 inhibitory activity, and as a result, they have found that the compound or a salt thereof of the present invention exhibits an excellent VAP-1 inhibitory activity and is useful for preventing and/or treating VAP-1-related diseases, in particular, diabetic nephropathy or diabetic macular edema, thereby completing the present invention. In addition, the present invention relates to a pharmaceutical composition, in particular, a pharmaceutical composition for preventing and/or treating VAP-1-related diseases, which comprises the compound or a salt thereof of the present invention, and an excipient.

  [问题]本发明提供一种化合物，用作药物组合物的活性成分，特别是用于预防和/或治疗与VAP-1相关的疾病的药物组合物。 [解决方法]本发明人对具有VAP-1抑制活性的化合物进行了深入研究，结果发现本发明的化合物或其盐表现出优异的VAP-1抑制活性，可用于预防和/或治疗与VAP-1相关的疾病，特别是糖尿病肾病或糖尿病黄斑水肿，从而完成了本发明。此外，本发明涉及一种药物组合物，特别是用于预防和/或治疗与VAP-1相关的疾病的药物组合物，其包括本发明的化合物或其盐和赋形剂。