5-溴-2-吗啉羰基吡啶 | 957063-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 5-溴-2-吗啉羰基吡啶
• 英文名称: (5-bromopyridin-2-yl)(morpholino)methanone
• 英文别名: (5-bromopyridin-2-yl)-morpholin-4-ylmethanone
• CAS: 957063-06-8
• 化学式: C₁₀H₁₁BrN₂O₂
• 分子量: 271.114
• InChiKey: WTHVKZJDIPQZNG-UHFFFAOYSA-N

物化性质

• 沸点：
  412.8±45.0 °C(Predicted)
• 密度：
  1.549±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2934999090
• 危险性防范说明：
  P264,P270,P301+P312+P330,P501
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-bromo-2-morpholinocarbonylpyridine
Synonyms: (5-Bromopyridin-2-ylcarbonyl)morpholine

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 5-bromo-2-morpholinocarbonylpyridine
CAS number: 957063-06-8

---

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.

---

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:

---

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.

---

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: C10H11BrN2O2
Molecular weight: 271.1

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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.

---

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.

---

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

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	5-bromo-N-(2-methoxyethyl)picolinamide	——	C9H11BrN2O2	259.103
  吗啉(5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)吡啶-2-基)甲酮	Morpholino(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)methanone	1201644-47-4	C16H23BN2O4	318.181

反应信息

• 作为反应物：
  描述：

  5-溴-2-吗啉羰基吡啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 、 乙腈 为溶剂， 生成 (R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(6-(morpholine-4-carbonyl)pyridin-3-yl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one
  参考文献：
  名称：

  新型P2X 7受体拮抗剂的合成和SAR开发：第1部分

  摘要：

  围绕我们最初的先导化合物1的结构-活性关系（SAR）的努力导致鉴定出具有改善的药代动力学特征的有效P2X 7受体拮抗剂。这些化合物在人和啮齿动物中均对P2X 7受体有效且具有选择性。化合物（第31项）在大鼠MIA和CCI疼痛模型中表现出口服功效。

  DOI：

  10.1016/j.bmcl.2011.04.034
• 作为产物：
  描述：

  5-溴-2-吡啶羧酸 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 5-溴-2-吗啉羰基吡啶
  参考文献：
  名称：

  新型P2X 7受体拮抗剂的合成和SAR开发：第1部分

  摘要：

  围绕我们最初的先导化合物1的结构-活性关系（SAR）的努力导致鉴定出具有改善的药代动力学特征的有效P2X 7受体拮抗剂。这些化合物在人和啮齿动物中均对P2X 7受体有效且具有选择性。化合物（第31项）在大鼠MIA和CCI疼痛模型中表现出口服功效。

  DOI：

  10.1016/j.bmcl.2011.04.034

文献信息

• UREA INHIBITORS OF MAP KINASES
  申请人：NGUYEN Duyan

  公开号：US20100041642A1

  公开（公告）日：2010-02-18

  Urea containing compounds that inhibit MAP kinases, pharmaceutical compositions including such compounds and methods for using these compounds to treat inflammatory diseases and cancer are described herein.

  本文描述了含有抑制MAP激酶的尿素类化合物、包括这些化合物的药物组合物以及使用这些化合物治疗炎症性疾病和癌症的方法。
• [5,6]HETEROCYCLIC COMPOUND
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP2565185A1

  公开（公告）日：2013-03-06

  Abstract: An object of the present invention is to provide a novel low molecular weight compound exhibiting an osteogenesis-promoting action. This object is achieved by a compound having the general formula (I) or a pharmacologically acceptable salt thereof. In the general formula (I), R1 and R2 represent hydrogen atoms, and the like; R3 represents a hydrogen atom, and the like; X, Y, and Z represent nitrogen atoms, and the like; A represents a phenylene group, and the like; n represents 1 or 2, and the like; and V and W represent oxygen atoms, and the like.

  摘要：本发明的目的是提供一种表现出促进骨生成作用的新型低分子量化合物。该目的通过具有通式（I）或其药理学可接受的盐的化合物实现。在通式（I）中，R1和R2代表氢原子等；R3代表氢原子等；X、Y和Z代表氮原子等；A代表苯基等；n代表1或2等；V和W代表氧原子等。
• 1,5,7-TRISUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES
  申请人：SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD.

  公开号：US20200262813A1

  公开（公告）日：2020-08-20

  The present disclosure relates to 1,5,7-trisubstituted isoquinoline derivatives, their preparation and pharmaceutical use. In particular, the present disclosure discloses a compound of formula (I) or a pharmaceutically acceptable salt, stereoisomer, solvate or prodrug thereof, and a preparation method and use thereof. The definitions of the groups in the formula can be found in the specification and claims.

  本公开涉及1,5,7-三取代异喹啉衍生物、其制备方法和药物用途。特别是，本公开披露了公式(I)的化合物或其药用可接受的盐、立体异构体、溶剂化物或前药，以及其制备方法和用途。公式的组的定义可以在说明书和权利要求中找到。
• 一种噻吩并嘧啶类衍生物、其制备方法及其在 医药上的应用
  申请人：上海希迈医药科技有限公司

  公开号：CN103360407B

  公开（公告）日：2016-06-22

  本发明公开了一种噻吩并嘧啶类衍生物、其制备方法及其在医药上的应用。所述衍生物是具有通式I或通式II或通式III的化合物：上述通式中：Ar为苯基、卤素取代的苯基、C1-6烷基取代的苯基、联苯基、卤素取代的联苯基、萘基、吡啶基、噻吩基、卤素取代的噻吩基、C1-3烷基取代的噻吩基、呋喃基、卤素取代的呋喃基、C1-3烷基取代的呋喃基中的任意一种；A、D、E分别为碳原子或氮原子，但A、D、E不同时为碳原子；R为R1——NH——、本发明提供的噻吩并嘧啶类衍生物具有明显的EGFR抑制活性和抑制A431细胞的活性，可望开发为酪氨酸激酶抑制剂，具有广阔的应用前景和药用价值。
• N
  申请人：浙江大学

  公开号：CN111732548B

  公开（公告）日：2022-06-17

  本发明提供N2‑氨甲酰芳环‑2‑氨基嘧啶类衍生物及其医药用途。本发明提供的N2‑氨甲酰芳环‑2‑氨基嘧啶衍生物包括其光学异构体及药学上可接受的盐。经药效研究表明，所述化合物具有FLT3抑制活性，对多种白血病细胞株有增值抑制活性，对乳腺癌细胞有中等抑制作用，且对AML多种突变如近膜结构域的内部串联重复突变和激酶结构域中活化环的D835点突变有效，对c‑KIT几乎无抑制作用，可以克服临床上点突变带来的耐药，可以减小骨髓抑制毒副作用，可在制备抗肿瘤药物中的应用。N2‑氨甲酰芳环‑2‑氨基嘧啶类衍生物的通式Ia和Ib的结构如下：