6-甲氧基吡啶- 3 -磺酰氯 | 312300-42-8

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酰卤化物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 6-甲氧基吡啶- 3 -磺酰氯
• 中文别名: 6-甲氧基吡啶-3-磺酰氯
• 英文名称: 6-methoxypyridine-3-sulfonyl chloride
• 英文别名: 6-methoxy-3-pyridinesulfonyl chloride
• CAS: 312300-42-8
• 化学式: C₆H₆ClNO₃S
• mdl: MFCD06739108
• 分子量: 207.638
• InChiKey: OMLIVJOTRYWHNY-UHFFFAOYSA-N

物化性质

• 沸点：
  320.4±22.0 °C(Predicted)
• 密度：
  1.448±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37
• 危险类别码：
  R36,R43
• 海关编码：
  2933399090
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  3261
• 危险性描述：
  H314
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
6-Methoxypyridine-3-sulfonyl chloride
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H317: May cause an allergic skin reaction
H319: Causes serious eye irritation
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

---

Section 3. Composition/information on ingredients.
Ingredient name: 6-Methoxypyridine-3-sulfonyl chloride
CAS number: 312300-42-8

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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
This product should be handled only by, or under the close supervision of, those properly qualified
Handling:
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, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H6ClNO3S
Molecular weight: 207.6

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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, 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：

  6-甲氧基吡啶- 3 -磺酰氯 在 sodium hydride 、 15-冠醚-5 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以17%的产率得到1-[(6-methoxypyridin-3-yl)sulfonyl]-5-phenyl-1H-pyrrole-3-carbaldehyde
  参考文献：
  名称：

  Acid secretion inhibitor

  摘要：

  本发明提供一种具有优越的抑制酸分泌作用并显示抗溃疡活性等的化合物。本发明提供一种由式(I)表示的化合物，其中R1是一种含氮的单环杂环基，可选择地与苯环或杂环缩合，该含氮的单环杂环基可选择地与苯环或杂环缩合，可选择地具有取代基，R2是可选择地取代的C6-14芳基，可选择地取代的噻吩基或可选择地取代的吡啶基，R3和R4分别是氢原子，或者R3和R4中的一个是氢原子，另一个是可选择地取代的较低烷基基团、酰基、卤原子、氰基或硝基，R5是烷基或其盐。

  公开号：

  US20070060623A1
• 作为产物：
  描述：

  5-氨基-2-甲氧基吡啶 在 盐酸 、 sodium nitrite 、 氯化亚砜 、 copper(l) chloride 作用下， 以 水 为溶剂， 生成 6-甲氧基吡啶- 3 -磺酰氯
  参考文献：
  名称：

  鉴定对昆虫神经系统有活性的磺胺类化合物：分子建模、合成和生物学评价

  摘要：

  昆虫烟碱乙酰胆碱受体 (nAChRs) 是杀虫剂设计的公认目标。在这项工作中，我们通过使用分子建模工具的基于结构的方法确定了对害虫和传粉者具有潜在选择性活性的配体。使用 ZINC 数据库中的文库，使用 Openeye 软件进行高通量虚拟筛选，噻虫啉被用作目标结构。然后将前 16 个分子停靠在 α6 蟑螂和蜜蜂同源 nAChR 中，以从理论角度检查有利于害虫选择性的相关描述符。在选定的分子中，后来合成了一种原始的磺胺化合物以及各种类似物。该家族的两种化合物已被证明可作为蟑螂胆碱能突触传递的激活剂

  DOI：

  10.1016/j.bmcl.2023.129124

文献信息

• [EN] TRIAZOLONE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE TRIAZOLONE ET LEURS UTILISATIONS
  申请人：INCEPTION 2 INC

  公开号：WO2013134562A1

  公开（公告）日：2013-09-12

  The invention disclosed herein is directed to compounds of Formula (I) and pharmaceutically acceptable salts thereof, which are useful in the treatment of prostate, breast, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention also comprises pharmaceutical compositions comprising a therapeutically effective amount of compound of Formula (I), or a pharmaceutically acceptable salt thereof. The invention disclosed herein is also directed to methods of treating prostate, breast, ovarian, liver, kidney, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention disclosed herein is further directed to methods of treating prostate, breast, colon, pancreatic, chronic lymphocytic leukemia, melanoma and other cancers comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist. The compounds and pharmaceutical compositions of the invention are also useful in the treatment of viral infections, such as HCV infections and HIV infections. The invention disclosed herein is also directed to a methods of preventing the onset of and/or recurrence of acute and chronic myeloid leukemia, as well as other cancers, comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist.

  本发明涉及的化合物属于式(I)及其药学上可接受的盐，可用于治疗前列腺、乳腺、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症。该发明还包括含有式(I)化合物的治疗有效量或其药学上可接受的盐的药物组合物。本发明还涉及治疗前列腺、乳腺、卵巢、肝脏、肾脏、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法。本发明还涉及治疗前列腺、乳腺、结肠、胰腺、慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法，包括给予选择性PPARα拮抗剂的治疗有效量。本发明的化合物和药物组合物还可用于治疗病毒感染，如HCV感染和HIV感染。本发明还涉及一种预防急性和慢性骨髓性白血病以及其他癌症发作和/或复发的方法，包括给予选择性PPARα拮抗剂的治疗有效量。
• BORON-CONTAINING SMALL MOLECULES
  申请人：Xia Yi

  公开号：US20100256092A1

  公开（公告）日：2010-10-07

  This invention relates to, among other items, 6-substituted benzoxaborole compounds and their use for treating bacterial infections.

  这项发明涉及6-取代苯硼酯化合物等物品，以及它们用于治疗细菌感染的用途。
• 5-Membered heterocyclic compound
  申请人：Nishida Haruyuki

  公开号：US20090156642A1

  公开（公告）日：2009-06-18

  The present invention provides 5-membered heterocycle compounds represented by the following general formula (I): The present compounds have a superior acid secretion inhibitory effect, and shows an antiulcer activity and the like.

  本发明提供了以下通式(I)表示的5元杂环化合物： 本化合物具有优异的抑制胃酸分泌效果，并显示出抗溃疡活性等。
• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRAZOLO[1,5-A]PYRIDINE EN TANT QU'INHIBITEURS DE LA KINASE RET
  申请人：ANDREWS STEVEN W

  公开号：WO2018071447A1

  公开（公告）日：2018-04-19

  Provided herein are compounds of the Formula I and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, X1, X2, X3, X4, Ring D, and E have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including RET-associated diseases and disorders.

  本文件提供了公式I的化合物以及立体异构体和药用可接受的盐或溶剂化物，其中A、B、X1、X2、X3、X4、环D和E具有说明书中给出的含义，它们是RET激酶的抑制剂，可用于治疗和预防可通过RET激酶抑制剂治疗的疾病，包括与RET相关疾病和失调。
• [EN] 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE 2-AMINO-INDOLE 3-SUBSTITUÉS
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2015198045A1

  公开（公告）日：2015-12-30

  The present invention provides compounds of formula (I) (Formula (I)) and pharmaceutically acceptable salts thereof, wherein Q, X% X4,X5 X6, X7,R1, R2, R3 and R8 are as defined in the specification, processes for the preparation of such compounds, pharmaceutical compositions containing them and the use of such compounds in therapy.

  本发明提供了公式(I)（公式(I)）的化合物及其药用可接受的盐，其中Q，X，X4，X5，X6，X7，R1，R2，R3和R8如说明书中所定义，这些化合物的制备方法，包含它们的药物组合物以及这些化合物在治疗中的用途。