5-溴-2-碘吡啶-3-醇 | 188057-49-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 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: 5-溴-2-碘吡啶-3-醇
• 英文名称: 5-bromo-2-iodopyridin-3-ol
• CAS: 188057-49-0
• 化学式: C₅H₃BrINO
• 分子量: 299.893
• InChiKey: TYKCQFLONIEXBQ-UHFFFAOYSA-N

物化性质

• 熔点：
  202-203℃
• 沸点：
  325.1±37.0 °C(Predicted)
• 密度：
  2.512±0.06 g/cm3 (20 ºC 760 Torr)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R22
• WGK Germany：
  3
• 危险标志：
  GHS07
• 危险性描述：
  H302
• 危险性防范说明：
  P280,P305+P351+P338
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-iodopyridin-3-ol
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: 5-Bromo-2-iodopyridin-3-ol
CAS number: 188057-49-0

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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, refrigerated.
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: C5H3BrINO
Molecular weight: 299.9

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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, hydrogen Iodide.

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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：

  5-溴-2-碘吡啶-3-醇 在 四(三苯基膦)钯 、 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 盐酸 、 正丁基锂 、 copper diacetate 、 potassium carbonate 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 hexanes 、 乙醚 、 二氯甲烷 、 氯仿 、 水 、 N,N-二甲基甲酰胺 、 异丙醇 、 甲苯 为溶剂， 反应 48.08h， 生成 4-{3-[(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl}-6-(methyloxy)pyrido[2,3-b]pyrazin-3(4H)-one fumarate
  参考文献：
  名称：

  WO2008/128961

  摘要：

  公开号：
• 作为产物：
  描述：

  3-溴-5-甲氧基吡啶 在 碘 、 三溴化硼 、 sodium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 51.0h， 生成 5-溴-2-碘吡啶-3-醇
  参考文献：
  名称：

  新型7-取代吡啶并[2'，3'：4,5]呋喃并[3,2 - d ]嘧啶-4-胺及其N-芳基类似物的合成及其对Ser / Thr激酶的抑制活性

  摘要：

  描述了7-取代的吡啶并[2'，3'：4,5]呋喃并[3,2 - d ]嘧啶-4-胺及其N-芳基类似物的有效合成。将3，5-二溴吡啶转化为3-氨基-6-溴呋喃并[3，2 - b ]吡啶-2-甲腈中间体，并用DMFDMA将其甲酰化。在环化步骤之前或之后，通过钯催化的Suzuki-Miyaura交叉偶联完成了三环支架7位的官能化，同时通过微波辅助的甲酰胺降解和Dimroth重排合成了嘧啶4-胺和N-芳基对应物。 ， 分别。评估最终产物对一系列五个Ser / Thr激酶（CDK5 / p25，CK1δ/ε，CLK1，DYRK1A，GSK3α/β）的有效抑制作用。化合物35显示出最佳的抑制活性，IC 50值为49 nM，并且在测试的激酶组中被证明对CLK1具有特异性。

  DOI：

  10.1016/j.bmcl.2013.10.019

文献信息

• [EN] DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS<br/>[FR] ANALOGUES DE DIHYDROBENZOFURANE ET D'INDEN EN TANT QU'INHIBITEURS DE SARCOMES CARDIAQUES
  申请人：CYTOKINETICS INC

  公开号：WO2019144041A1

  公开（公告）日：2019-07-25

  Provided are compounds of Formula (I), or a pharmaceutically acceptable salt thereof, wherein A, Z, B, R1, R2, R3, G1, G2, and G3 are as defined herein. Also provided is a pharmaceutically acceptable composition comprising a compound of Formula (I), or a pharmaceutically acceptable salt thereof Also provided are methods of using a compound of Formula (I), or a pharmaceutically acceptable salt, thereof for use in methods of treatment heart diseases through cardiac sarcomere inhibtion.

  提供的是式（I）的化合物，或其药学上可接受的盐，其中A、Z、B、R1、R2、R3、G1、G2和G3如本文所定义。还提供了一种包含式（I）的化合物或其药学上可接受的盐的药学上可接受的组合物。还提供了使用式（I）的化合物或其药学上可接受的盐的方法，用于治疗心脏疾病通过心肌肌节抑制。
• TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF
  申请人：Merck Patent GmbH

  公开号：US20160376283A1

  公开（公告）日：2016-12-29

  The present invention relates to compounds of Formula I and pharmaceutically acceptable compositions thereof, useful as TBK/IKKε inhibitors.

  本发明涉及式I化合物及其药用可接受的组合物，用作TBK/IKKε抑制剂。
• [EN] ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS<br/>[FR] DÉRIVÉS D'ISOCHROMÈNE UTILES EN TANT QU'INHIBITEURS DES PHOSPHOINOSITIDE 3-KINASES
  申请人：CHIESI FARMA SPA

  公开号：WO2015091685A1

  公开（公告）日：2015-06-25

  The invention relates to compounds inhibiting phosphoinositide 3-kinases (PI3K), to pharmaceutical compositions comprising them and therapeutic use thereofin the treatment of disorders associated with PI3K enzymes.

  本发明涉及抑制磷脂酰肌醇3-激酶（PI3K）的化合物，包括含有它们的药物组合物以及它们在治疗与PI3K酶相关疾病的用途。
• ISOCHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS
  申请人：CHIESI FARMACEUTICI S.p.A.

  公开号：US20150166549A1

  公开（公告）日：2015-06-18

  Compounds of formula (I) described herein are useful for inhibiting phosphoinositide 3-kinases (PI3K) and the treatment of disorders associated with PI3K enzymes.

  根据此处描述的公式(I)的化合物对于抑制磷脂酰肌醇3-激酶（PI3K）以及治疗与PI3K酶相关联的疾病是有用的。
• FURO- AND THIENO-PYRIDINE CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS
  申请人：Incyte Corporation

  公开号：US20150057265A1

  公开（公告）日：2015-02-26

  The present disclosure describes furo- and thieno-pyridine carboxamide compounds, as well as their compositions and methods of use. The compounds inhibit the activity of the Pim kinases, and are useful in the treatment of diseases related to the activity of Pim kinases including, e.g., cancer and other diseases.

  本公开描述了呋喃和噻吩吡啶羧酰胺化合物，以及它们的组合物和使用方法。这些化合物抑制Pim激酶的活性，并且在治疗与Pim激酶活性相关的疾病方面具有用处，例如癌症和其他疾病。