2,3-二氯吡啶-5-硼酸 | 1072944-15-0

• 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: 2,3-二氯吡啶-5-硼酸
• 英文名称: (5,6-dichloropyridin-3-yl)boronic acid
• 英文别名: 2,3-dichloropyridine-5-boronic acid
• CAS: 1072944-15-0
• 化学式: C₅H₄BCl₂NO₂
• mdl: MFCD08277308
• 分子量: 191.809
• InChiKey: DRJYUOQTLCPXHE-UHFFFAOYSA-N

物化性质

• 熔点：
  >160°C (dec.)
• 沸点：
  364.1±52.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（轻微）、甲醇（轻微、加热）

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,3-Dichloropyridine-5-boronic acid
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: 2,3-Dichloropyridine-5-boronic acid
CAS number: 1072944-15-0

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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: C5H4BCl2NO2
Molecular weight: 191.8

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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 chloride.

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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：

  2,3-二氯吡啶-5-硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 caesium carbonate 作用下， 以 乙二醇二甲醚 、 乙醇 、 水 、 二甲基亚砜 为溶剂， 生成 3-chloro-N-(cyclopropylmethyl)-5-(6,7-dimethoxycinnolin-4-yl)pyridin-2-amine
  参考文献：
  名称：

  发现磷酸二酯酶10A（PDE10A）PET示踪剂AMG 580以支持临床研究。

  摘要：

  我们报告发现了PDE10A PET示踪剂AMG 580的发现，该示踪剂是为支持PDE10A抑制剂在临床上的概念研究而开发的。为了在NHP中找到比我们先前报道的示踪剂1具有更高结合潜能（BPND）的示踪剂，我们实施了表面等离振子共振测定法来测量结合解离速率，以鉴定体内洗脱速度较慢的候选物。从两个结构不同的支架中鉴定出五个候选物（2-6），它们具有有利于中心渗透的体外特征和PET同位素放射性标记所必需的结构特征。在SD大鼠体内LC-MS / MS动力学分布研究中，两种cinnolines（2，3）和一种keto-benzimidazole（5）表现出PDE10A目标特异性，并且其脑摄取与1相当或更好。在NHP PET成像研究中，

  DOI：

  10.1021/acsmedchemlett.6b00185

文献信息

• [EN] BIARYL ACYL-SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS<br/>[FR] COMPOSÉS D'ACYLSULFONAMIDE DE BIARYLE EN TANT QU'INHIBITEURS DES CANAUX SODIQUES
  申请人：AMGEN INC

  公开号：WO2015051043A1

  公开（公告）日：2015-04-09

  The present invention provides compounds of Formula (Ia), and pharmaceutically acceptable salts thereof. The compounds are useful as inhibitors of voltage-gated sodium channels, in particular Nav 1.7. (Ia); as described in the specification. The compounds are useful for the treatment of diseases treatable by inhibition of sodium channels such as pain disorders. Also provided are pharmaceutical compositions containing compounds of the present invention, as well as intermediates and processes useful for making the compounds.

  本发明提供了化合物(Ia)及其药用可接受的盐。这些化合物可用作电压门控钠通道的抑制剂，特别是Nav 1.7。（Ia）；如规范中所述。这些化合物可用于治疗通过抑制钠通道可治疗的疾病，如疼痛性疾病。还提供了含有本发明化合物的药物组合物，以及用于制备这些化合物的中间体和工艺。
• [EN] INDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS<br/>[FR] DÉRIVÉS D'INDAZOLE COMME INHIBITEURS DES CANAUX SODIQUES
  申请人：PFIZER LTD

  公开号：WO2012095781A1

  公开（公告）日：2012-07-19

  The invention relates to acyl sulfonamide derivatives, to their use in medicine, to compositions containing them, to processes for their preparation and to intermediates used in such processes. More particularly the invention relates to a new acyl sulfonamide Nav1.7 inhibitors of formula (I): or a pharmaceutically acceptable salt thereof, wherein U, V, W, X, Y, R° and R1 are as defined in the description. Nav 1.7 inhibitors are potentially useful in the treatment of a wide range of disorders, particularly pain.

  该发明涉及酰基磺酰胺衍生物，其在医学上的应用，含有它们的组合物，其制备方法以及在这些方法中使用的中间体。更具体地，该发明涉及一种新的酰基磺酰胺Nav1.7抑制剂，其化学式为(I)：或其药用可接受盐，其中U、V、W、X、Y、R°和R1如描述中定义。Nav 1.7抑制剂在治疗各种疾病，特别是疼痛方面具有潜在用途。
• Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors
  申请人：AMEGEN INC.

  公开号：US20160214971A1

  公开（公告）日：2016-07-28

  The present invention provides compounds of Formula (Ia), and pharmaceutically acceptable salts thereof. The compounds are useful as inhibitors of voltage-gated sodium channels, in particular Nav 1.7. as described in the specification. The compounds are useful for the treatment of diseases treatable by inhibition of sodium channels such as pain disorders. Also provided are pharmaceutical compositions containing compounds of the present invention, as well as intermediates and processes useful for making the compounds.

  本发明提供了公式（Ia）的化合物及其药学上可接受的盐。这些化合物可用作电压门控钠通道的抑制剂，特别是Nav 1.7，如规范中所述。这些化合物可用于治疗可通过抑制钠通道治疗的疾病，例如疼痛障碍。还提供了含有本发明化合物的制药组合物，以及制造这些化合物的中间体和工艺。
• [EN] IL4I1 INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS D'IL4I1 ET MÉTHODES D'UTILISATION
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2023278222A1

  公开（公告）日：2023-01-05

  Described herein are compounds of Formula I or a pharmaceutically acceptable salt thereof wherein A, E, U, X, Y, Z, R1, R2and n are as defined herein. The compounds of Formula I act as IL4I1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for IL4I1 -related diseases. Also provided herein are pharmaceutical compositions comprising the compounds of the invention, or their pharmaceutically acceptable salts, and a pharmaceutically acceptable carrier and methods of treatment with the compounds of the invention.
• Discovery of Phosphodiesterase 10A (PDE10A) PET Tracer AMG 580 to Support Clinical Studies
  作者：Essa Hu、Ning Chen、Roxanne K. Kunz、Dah-Ren Hwang、Klaus Michelsen、Carl Davis、Ji Ma、Jianxia Shi、Dianna Lester-Zeiner、Randall Hungate、James Treanor、Hang Chen、Jennifer R. Allen

  DOI：10.1021/acsmedchemlett.6b00185

  日期：2016.7.14

  We report the discovery of PDE10A PET tracer AMG 580 developed to support proof of concept studies with PDE10A inhibitors in the clinic. To find a tracer with higher binding potential (BPND) in NHP than our previously reported tracer 1, we implemented a surface plasmon resonance assay to measure the binding off-rate to identify candidates with slower washout rate in vivo. Five candidates (2-6) from

  我们报告发现了PDE10A PET示踪剂AMG 580的发现，该示踪剂是为支持PDE10A抑制剂在临床上的概念研究而开发的。为了在NHP中找到比我们先前报道的示踪剂1具有更高结合潜能（BPND）的示踪剂，我们实施了表面等离振子共振测定法来测量结合解离速率，以鉴定体内洗脱速度较慢的候选物。从两个结构不同的支架中鉴定出五个候选物（2-6），它们具有有利于中心渗透的体外特征和PET同位素放射性标记所必需的结构特征。在SD大鼠体内LC-MS / MS动力学分布研究中，两种cinnolines（2，3）和一种keto-benzimidazole（5）表现出PDE10A目标特异性，并且其脑摄取与1相当或更好。在NHP PET成像研究中，