3-溴-2,6-二氯吡啶 | 866755-20-6

• 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: 3-溴-2,6-二氯吡啶
• 中文别名: 2,6-二氯-3-溴吡啶
• 英文名称: 3-bromo-2,6-dichloropyridine
• CAS: 866755-20-6
• 化学式: C₅H₂BrCl₂N
• 分子量: 226.888
• InChiKey: PZHASTRIYXMWKM-UHFFFAOYSA-N

物化性质

• 熔点：
  68-71°C
• 沸点：
  255.0±35.0 °C(Predicted)
• 密度：
  1.848±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  按规定使用和贮存的不会分解，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 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：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xi
• 安全说明：
  S26,S39,S45
• 危险类别码：
  R25,R37/38,R41
• 危险品运输编号：
  UN2811
• 海关编码：
  2933399090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P280,P301+P310,P305+P351+P338
• 危险性描述：
  H301,H315,H318,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
3-Bromo-2,6-dichloropyridine
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H315: Causes skin irritation
H318: Causes serious eye damage
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280: Wear protective gloves/protective clothing/eye protection/face protection
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
3-Bromo-2,6-dichloropyridine
Ingredient name:
CAS number: 866755-20-6

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H2BrCl2N
Molecular weight: 226.9

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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 chloride, hydrogen bromide.

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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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (3-Bromo-2,6-dichloropyridine)

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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：

  3-溴-2,6-二氯吡啶 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以44%的产率得到3-bromo-6-chloro-2-hydrazinylpyridine
  参考文献：
  名称：

  临床候选药物 MAK683 的发现：一种用于治疗晚期恶性肿瘤的 EED 导向、变构和选择性 PRC2 抑制剂

  摘要：

  Polycomb Repressive Complex 2 (PRC2) 在动物发育和细胞分化过程中的转录调控中起重要作用，PRC2 活性的改变与癌症有关。在分子水平上，PRC2 催化组蛋白 H3 赖氨酸 27 (H3K27) 的甲基化，导致 H3K27 的单甲基化、二甲基化或三甲基化形式，其中三甲基化形式的 H3K27me3 导致多梳靶基因的转录抑制。此前，我们已经证明低分子量化合物 EED226 与调节亚基 EED 的 H3K27me3 结合口袋的结合可以有效抑制细胞中的 PRC2 活性并减少小鼠异种移植模型中的肿瘤生长。在这里，我们报告了工具化合物 EED226 对强效和选择性 EED 抑制剂 MAK683（化合物22 ）的逐步优化。) 及其随后的临床前表征。基于平衡的 PK/PD 曲线、功效和降低形成反应性代谢物的风险，MAK683 已被选择用于临床开发。

  DOI：

  10.1021/acs.jmedchem.1c02148

文献信息

• [EN] NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS UTILISÉS COMME INHIBITEURS DE LA KINASE RÉARRANGÉE AU COURS DE LA TRANSFECTION (RET)
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2016037578A1

  公开（公告）日：2016-03-17

  This invention relates to novel compounds which are inhibitors of the Rearranged during Transfection (RET) kinase, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in combination, for the normalization of gastrointestinal sensitivity, motility and/or secretion and/or abdominal disorders or diseases and/or treatment related to diseases related to RET dysfunction or where modulation of RET activity may have therapeutic benefit including but not limited to all classifications of irritable bowel syndrome (IBS) including diarrhea-predominant, constipation-predominant or alternating stool pattern, functional bloating, functional constipation, functional diarrhea, unspecified functional bowel disorder, functional abdominal pain syndrome, chronic idiopathic constipation, functional esophageal disorders, functional gastroduodenal disorders, functional anorectal pain, inflammatory bowel disease, proliferative diseases such as non-small cell lung cancer, hepatocellular carcinoma, colorectal cancer, medullary thyroid cancer, follicular thyroid cancer, anaplastic thyroid cancer, papillary thyroid cancer, brain tumors, peritoneal cavity cancer, solid tumors, other lung cancer, head and neck cancer, gliomas, neuroblastomas, Von Hippel-Lindau Syndrome and kidney tumors, breast cancer, fallopian tube cancer, ovarian cancer, transitional cell cancer, prostate cancer, cancer of the esophagus and gastroesophageal junction, biliary cancer, adenocarcinoma, and any malignancy with increased RET kinase activity.

  这项发明涉及一种新型化合物，这些化合物是重排转位过程中的抑制剂（RET）激酶，包含它们的药物组合物，它们的制备方法，以及它们在治疗中的使用，单独或结合使用，用于规范胃肠敏感性、蠕动和/或分泌以及/或腹部紊乱或疾病和/或与RET功能障碍相关的疾病或调节RET活性可能具有治疗益处的治疗，包括但不限于所有分类的肠易激综合征（IBS），包括以腹泻为主、以便秘为主或交替排便模式、功能性腹胀、功能性便秘、功能性腹泻、未特指的功能性肠道障碍、功能性腹痛综合征、慢性特发性便秘、功能性食管障碍、功能性胃十二指肠障碍、功能性肛门疼痛、炎症性肠病、非小细胞肺癌、肝细胞癌、结肠癌、髓样甲状腺癌、滤泡性甲状腺癌、间变性甲状腺癌、乳头状甲状腺癌、脑肿瘤、腹腔癌、实体肿瘤、其他肺癌、头颈癌、神经胶质瘤、神经母细胞瘤、冯·希普-林道氏综合征和肾肿瘤、乳腺癌、输卵管癌、卵巢癌、移行细胞癌、前列腺癌、食管和食管胃交界处癌症、胆道癌、腺癌，以及任何具有增加RET激酶活性的恶性肿瘤。
• HPK1 ANTAGONISTS AND USES THEREOF
  申请人：Nimbus Saturn, Inc.

  公开号：US20210078996A1

  公开（公告）日：2021-03-18

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of HPK1, and the treatment of HPK1-mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物用于抑制HPK1和治疗HPK1介导的疾病的方法。
• INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK
  申请人：PFIZER INC.

  公开号：US20130267493A1

  公开（公告）日：2013-10-10

  The present invention relates to indole and indazole compounds of Formula (I) that activate 5′ adenosine monophosphate-activated protein kinase (AMPK). The invention also encompasses pharmaceutical compositions containing these compounds and methods for treating or preventing diseases, conditions, or disorders ameliorated by activation of AMPK.

  本发明涉及激活5'-腺苷单磷酸活化蛋白激酶（AMPK）的吲哚和吲唑化合物的化学式（I）。该发明还包括含有这些化合物的药物组合物以及治疗或预防通过激活AMPK改善的疾病、症状或疾病的方法。
• [EN] MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR<br/>[FR] MODULATEURS DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE
  申请人：ABELA ALEXANDER RUSSELL

  公开号：WO2019195739A1

  公开（公告）日：2019-10-10

  This disclosure provides modulators of Cystic Fibrosis Transmembrane Conductance Regulator (CFTR), pharmaceutical compositions containing at least one such modulator, methods of treatment of cystic fibrosis using such modulators and pharmaceutical compositions, and processes for making such modulators.

  这份披露提供了囊性纤维化跨膜传导调节因子（CFTR）的调节剂，包含至少一种这样的调节剂的药物组合物，使用这种调节剂和药物组合物治疗囊性纤维化的方法，以及制造这种调节剂的过程。
• Identification and Optimization of Novel Cathepsin C Inhibitors Derived from EGFR Inhibitors
  作者：Weijie Hou、Huan Sun、Yongfen Ma、Chunyan Liu、Zhiyuan Zhang

  DOI：10.1021/acs.jmedchem.9b00631

  日期：2019.6.27

  irreversible inhibitor WZ4002 also functioned as a low micromolar inhibitor of cathepsin C (CatC), a promising target for the treatment of numerous inflammatory and autoimmune diseases. Building on from this discovery, and following structure-activity relationship investigations guided by computational modeling, a novel series of pyridine scaffold compounds were developed as irreversible CatC inhibitors, further

  在将生物化学转化为基于化学活性的蛋白质谱分析（BTC-ABPP）方法的过程中，我们意外地发现，表皮生长因子受体不可逆抑制剂WZ4002还起组织蛋白酶C（CatC）的低微摩尔抑制剂的作用。治疗多种炎性和自身免疫性疾病的靶标。在这一发现的基础上，并在以计算模型为指导的结构-活性关系研究之后，开发了一系列新型的吡啶骨架化合物作为不可逆的CatC抑制剂，进一步鉴定出了高效的，选择性的抑制剂22，该抑制剂表现出良好的代谢稳定性和口服生物利用度。体内研究表明，化合物22清楚地显示出抑制CatC的能力，因此导致骨髓和血液中下游中性粒细胞丝氨酸蛋白酶的有效抑制。化合物22的总体优异特性使其成为进一步临床前研究的有趣候选物。