4-(5-溴砒啶-3-基磺酰)吗啉 | 889676-35-1

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-(5-溴砒啶-3-基磺酰)吗啉
• 中文别名: 4-(5-溴吡啶-3-磺酰基)吗啉
• 英文名称: 4-(5-bromopyridin-3-ylsulfonyl)morpholine
• 英文别名: 4-(5-bromo-pyridine-3-sulfonyl)-morpholine；4-[(5-bromo-3-pyridinyl)sulfonyl]morpholine；4-((5-Bromopyridin-3-yl)sulfonyl)morpholine；4-(5-bromopyridin-3-yl)sulfonylmorpholine
• CAS: 889676-35-1
• 化学式: C₉H₁₁BrN₂O₃S
• 分子量: 307.168
• InChiKey: GIMCCYOGOYDJFI-UHFFFAOYSA-N

物化性质

• 熔点：
  188-190

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  67.9
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(5-Bromopyridin-3-ylsulfonyl)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-Bromopyridin-3-ylsulfonyl)morpholine
CAS number: 889676-35-1

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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.
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: C9H11BrN2O3S
Molecular weight: 307.2

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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, 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：

  tert-butyl (4-chloro-2-ethynylphenoxy)acetate 、 4-(5-溴砒啶-3-基磺酰)吗啉 生成 {4-chloro-2-[(5-(morpholin-4-ylsulfonyl)pyridin-3-yl)ethynyl]phenoxy}acetic acid
  参考文献：
  名称：

  Phenoxy acetic acid derivatives

  摘要：

  本发明提供了式（I）的苯氧乙酸衍生物，用于治疗与CRTH2相关的疾病和疾病，包括哮喘、特应性皮炎和炎症性皮肤病。

  公开号：

  US08273769B2
• 作为产物：
  描述：

  吗啉 、 5-溴吡啶-3-磺酰氯 以 1,4-二氧六环 为溶剂， 以98 %的产率得到4-(5-溴砒啶-3-基磺酰)吗啉
  参考文献：
  名称：

  一种磺酰胺类有机化合物的合成方法

  摘要：

  本发明公开了一种磺酰胺类有机化合物的合成方法，以磺酰氯类衍生物与一级胺或二级胺为原料，在反应溶剂中进行加热反应，得到相应结构的磺酰胺类有机化合物。本发明一种磺酰胺类有机化合物的合成方法，以结构式(1)表示的磺酰氯类衍生物与一级胺或二级胺为原料，通过反应溶剂和加热温度的设计，使得反应产生的氯化氢气体能够先与一级胺或二级胺形成铵盐，再分解挥发逸出，无需额外添加缚酸剂就能实现有效去除反应产生的氯化氢气体，从而实现简化操作、节约成本、降低微废物产量的目的，本发明的合成方法绿色环保，且所述产物收率高。

  公开号：

  CN116947712A

文献信息

• [EN] PHENOXY ACETIC ACID DERIVATIVES<br/>[FR] DÉRIVÉS D'ACIDE PHÉNOXYACÉTIQUE
  申请人：MERCK SERONO SA

  公开号：WO2010092043A1

  公开（公告）日：2010-08-19

  The present invention provides phenoxyacetic acid derivatives of Formula (I) for the treatment of CRTH2 related disorders and disease selected from asthma, atopic dermatitis and inflammatory dermatoses.

  本发明提供了用于治疗与CRTH2相关的疾病和疾病（包括哮喘、特应性皮炎和炎症性皮肤病）的Formula（I）的苯氧乙酸衍生物。
• [EN] INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'INDAZOLE COMME INHIBITEURS DES PI3-KINASES
  申请人：GLAXO GROUP LTD

  公开号：WO2011067366A1

  公开（公告）日：2011-06-09

  The invention is directed to certain novel compounds. Specifically, the invention is directed to compounds of formula (I) and salts thereof. The compounds of the invention are inhibitors of PI3-kinase activity.

  这项发明涉及某些新颖化合物。具体而言，该发明涉及具有化学式(I)及其盐的化合物。该发明的化合物是PI3-激酶活性的抑制剂。
• AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS
  申请人：Incyte Corporation

  公开号：US20160229843A1

  公开（公告）日：2016-08-11

  The present invention provides aza-heteroaryl derivatives of Formula I: and pharmaceutically acceptable salts thereof, wherein X, Y, Z, A, W, R 4 , R 5 , and R 6 are defined herein, that inhibit the activity of phosphoinositide 3-kinases-gamma (PI3Kγ) and are useful in the treatment of diseases related to the activity of PI3Kγ including, for example, autoimmune diseases, cancer, cardiovascular diseases, and neurodegenerative diseases.

  本发明提供了式I的氮杂杂环衍生物及其药学上可接受的盐，其中X、Y、Z、A、W、R4、R5和R6在此处定义，并且抑制磷脂酰肌醇3-激酶γ（PI3Kγ）的活性，并且在治疗与PI3Kγ活性相关的疾病方面具有用处，例如自身免疫疾病、癌症、心血管疾病和神经退行性疾病。
• Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives
  申请人：Novartis AG

  公开号：US20130165436A1

  公开（公告）日：2013-06-27

  The invention relates to dihydro-benzo-oxazine and dihydro-pyrido-oxazine compounds of the formula (I) and/or pharmaceutically acceptable salts and/or solvates thereof, wherein Y, V, W, U, Q, R 1 , R 5 , R 7 and R 30 are as defined in the description. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of the PI3K enzymes.

  该发明涉及式(I)的二氢苯并噁嗪和二氢吡啶噁嗪化合物，以及其药学上可接受的盐和/或溶剂化合物，其中Y、V、W、U、Q、R1、R5、R7和R30如描述中所定义。这些化合物适用于治疗由PI3K酶活性介导的疾病或疾病。
• PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF
  申请人：Shimma Nobuo

  公开号：US20100069629A1

  公开（公告）日：2010-03-18

  A drug is provided that is useful as a preventive or therapeutic for cancer as a result of having superior PI3K inhibitory effects as well as superior stability in the body and water-solubility. A compound, or pharmaceutically acceptable salt thereof, represented by formula (I): [wherein, X represents a single bond, etc.; Y represents a single bond, etc. (provided that X and Y are not simultaneously single bonds); Z represents a hydrogen atom, etc.; m represents an integer of 1 or 2; and R 1 represents a cyclic substituent].

  提供了一种药物，由于具有优越的PI3K抑制作用以及在体内具有优越的稳定性和水溶性，因此可用作预防或治疗癌症。化合物或其药学上可接受的盐的表示式（I）：[其中，X表示单键等；Y表示单键等（前提是X和Y不同时为单键）；Z表示氢原子等；m表示1或2的整数；R1表示环状取代基]。