5-溴砒啶-3-磺酸 | 62009-34-1

• 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 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 5-溴砒啶-3-磺酸
• 中文别名: 5-溴吡啶-3-磺酸
• 英文名称: 5-bromopyridine-3-sulfonic acid
• CAS: 62009-34-1
• 化学式: C₅H₄BrNO₃S
• 分子量: 238.062
• InChiKey: SMLXJWRGAHUNNM-UHFFFAOYSA-N

物化性质

• 熔点：
  >300
• 密度：
  1.957±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 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：
  75.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 储存条件：
  请保持冷敷。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromopyridine-3-sulfonic acid
Synonyms: 5-Bromo-3-pyridinesulfonic acid

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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-Bromopyridine-3-sulfonic acid
CAS number: 62009-34-1

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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.
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: C5H4BrNO3S
Molecular weight: 238.1

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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, 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：

  5-溴砒啶-3-磺酸 在 ammonium hydroxide 、 硫酸 、 双氧水 、 copper(II) sulfate 作用下， 反应 65.0h， 生成 5-nitropyridine-3-sulfonic acid
  参考文献：
  名称：

  抗球虫药的研究。13.硝基吡啶-2-和-3-磺酰胺及其衍生物的合成和抗球虫活性。

  摘要：

  制备了八种硝基吡啶磺酰胺和吡啶磺酰胺N-氧化物作为它们的生物等排体，并评估了抗球虫活性。在这些化合物中，发现2-，4-和5-硝基吡啶-3-磺酰胺和吡啶-2-和-3-磺酰胺N-氧化物具有对抗艾美尔球虫的活性。因此，硝基吡啶-3-磺酰胺和吡啶磺酰胺N-氧化物中取代基的相对或间位对于抗球虫活性很重要。还制备了5-硝基吡啶-3-磺酰胺的N-取代的类似物，并用磺酰胺及其低级N-烷基衍生物获得了最佳的抗球虫活性。检查了5-硝基吡啶-3-磺酰胺的作用方式，发现其在子孢子和精神分裂的第一阶段均具有活性。

  DOI：

  10.1021/jm00186a017
• 作为产物：
  描述：

  5-溴吡啶-3-磺酰氯 在 水 作用下， 反应 1.5h， 生成 5-溴砒啶-3-磺酸
  参考文献：
  名称：

  抗球虫药的研究。13.硝基吡啶-2-和-3-磺酰胺及其衍生物的合成和抗球虫活性。

  摘要：

  制备了八种硝基吡啶磺酰胺和吡啶磺酰胺N-氧化物作为它们的生物等排体，并评估了抗球虫活性。在这些化合物中，发现2-，4-和5-硝基吡啶-3-磺酰胺和吡啶-2-和-3-磺酰胺N-氧化物具有对抗艾美尔球虫的活性。因此，硝基吡啶-3-磺酰胺和吡啶磺酰胺N-氧化物中取代基的相对或间位对于抗球虫活性很重要。还制备了5-硝基吡啶-3-磺酰胺的N-取代的类似物，并用磺酰胺及其低级N-烷基衍生物获得了最佳的抗球虫活性。检查了5-硝基吡啶-3-磺酰胺的作用方式，发现其在子孢子和精神分裂的第一阶段均具有活性。

  DOI：

  10.1021/jm00186a017

文献信息

• Acetylenyl-pyrazolo-pyrimidine derivatives
  申请人：McArthur Gatti Silvia

  公开号：US20060217387A1

  公开（公告）日：2006-09-28

  The present invention relates to compounds of formula (I): wherein R 1 to R 3 , A, M, L, E, G, and J are as defined in the description and claims. The invention also relates to a process for the manufacture of such compounds, pharmaceutical compositions containing them, and methods for treating CNS disorders.

  本发明涉及式(I)的化合物：其中R1到R3、A、M、L、E、G和J的定义如描述和索赔中所述。该发明还涉及一种制备此类化合物的方法、含有它们的药物组合物，以及治疗中枢神经系统疾病的方法。
• [EN] PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF<br/>[FR] DÉRIVATIFS DE PYRIDINESULFONAMIDE POUVANT ÊTRE UTILISÉS COMME MODULATEURS TRAP1 ET LEURS UTILISATIONS
  申请人：AMATHUS THERAPEUTICS INC

  公开号：WO2021188907A1

  公开（公告）日：2021-09-23

  The present disclosure provides compounds of Formula (I): and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled compounds, and prodrugs thereof. The provided compounds may be tumor necrosis factor ("TNF") receptor associated protein 1 ("TRAP1") modulators (e.g., TRAP1 activators). The provided compounds may also rescue the activity in PTEN-induced kinase 1 ("PINK1") loss of function contexts. The provided compounds may also improve mitochondrial health, function, quality, quantity, and/or activity, and/or reduce the production of reactive oxygen species. The provided compounds may also refold or solubilize aggregated or misfolded proteins such as a-synuclein. The present disclosure also provides pharmaceutical compositions comprising the provided compounds; kits comprising the provided compounds or pharmaceutical compositions; and methods of using the provided compounds and pharmaceutical compositions (e.g., for treating a disease in a subject in need thereof).

  本公开提供了化合物的化学式（I）和药学上可接受的盐、溶剂化合物、水合物、多晶型、共晶体、互变异构体、立体异构体、同位素标记化合物以及其前药。所提供的化合物可能是肿瘤坏死因子（"TNF"）受体相关蛋白1（"TRAP1"）调节剂（例如，TRAP1激活剂）。所提供的化合物还可能恢复PTEN诱导的激酶1（"PINK1"）功能丧失情况下的活性。所提供的化合物还可能改善线粒体的健康、功能、质量、数量和/或活性，和/或减少活性氧自由基的产生。所提供的化合物还可能对聚集或错误折叠的蛋白质（如α-突触核蛋白）进行重折叠或溶解。本公开还提供了包括所提供化合物的药物组合物；包括所提供化合物或药物组合物的试剂盒；以及使用所提供的化合物和药物组合物的方法（例如，用于治疗需要的受试者的疾病）。
• Pyridine sulfonamides and their use as anticoccidial agents
  申请人：Sankyo Company Limited

  公开号：US04094982A1

  公开（公告）日：1978-06-13

  Pyridine derivatives having the formula ##STR1## wherein R.sub.1 represents hydrogen atom, amino group or a group ##STR2## in which R.sub.5 and R.sub.6 may be the same or different and each represents an alkyl group of 1 to 4 carbon atoms or R.sub.5 is hydrogen atom and R.sub.6 represents an alkyl group of 1 to 4 carbon atoms, an alkenyl group of 3 or 4 carbon atoms or a benzyl group optionally substituted with halogen, cyano, alkyl of 1 to 4 carbon atoms or alkoxy of 1 to 4 carbon atoms; R.sub.2 represents nitro group, amino group or an alkylamino group of 1 to 3 carbon atoms; R.sub.3 and R.sub.4 individually represent hydrogen atom, an alkyl group of 1 to 4 carbon atoms, an alkoxyalkyl group which has 1 to 4 carbon atoms in the alkoxy moiety and 2 to 4 carbon atoms in the alkyl moiety, an alkenyl group of 3 or 4 carbon atoms, an alkanoyl group of 1 to 18 carbon atoms or a benzyl group optionally substituted with halogen, cyano, alkyl of 1 to 4 carbon atoms or alkoxy of 1 to 4 carbon atoms; provided that when R.sub.1 is hydrogen atom and R.sub.2 is nitro group, R.sub.3 and R.sub.4 may be the same or different and each represents said alkyl group or said alkoxyalkyl group or R.sub.3 is hydrogen atom and R.sub.4 is hydrogen atom, said alkyl group, said alkoxyalkyl group, said alkenyl group, said alkanoyl group or said benzyl group, when R.sub.1 is hydrogen atom and R.sub.2 is amino group or said alkylamino group, R.sub.3 and R.sub.4 individually is hydrogen atom or they may be the same or different and each represents said alkyl group, when R.sub.1 is amino group and R.sub.2 is nitro group, R.sub.3 and R.sub.4 may be the same or different and each represents said alkyl group or R.sub. 3 is hydrogen atom and R.sub.4 is said alkyl group or said alkenyl group, and when R.sub.1 is said group ##STR3## and R.sub.2 is nitro group, R.sub.3 and R.sub.4 are the same as defined above with respect to the R.sub.5 and R.sub.6. They are highly effective in the treatment of coccidiosis, especially that caused by the protozoa belonging to the species Eimeria tenella or E. necatrix.

  吡啶衍生物具有以下结构式 ##STR1## 其中 R.sub.1 代表氢原子，氨基或一个基团##STR2## 其中 R.sub.5 和 R.sub.6 可以相同或不同，每个代表1至4个碳原子的烷基基团，或者 R.sub.5 为氢原子，R.sub.6 代表1至4个碳原子的烷基基团，3或4个碳原子的烯基基团或者苄基，可选择地取代卤素，氰基，1至4个碳原子的烷基或1至4个碳原子的烷氧基；R.sub.2 代表硝基，氨基或1至3个碳原子的烷基氨基基团；R.sub.3 和 R.sub.4 分别代表氢原子，1至4个碳原子的烷基基团，具有1至4个碳原子的烷氧基的烷氧基基团和2至4个碳原子的烷基基团，3或4个碳原子的烯基基团，1至18个碳原子的烷酰基团或苄基，可选择地取代卤素，氰基，1至4个碳原子的烷基或1至4个碳原子的烷氧基；但是当 R.sub.1 为氢原子且 R.sub.2 为硝基时，R.sub.3 和 R.sub.4 可以相同或不同，每个代表所述的烷基或所述的烷氧基基团，或者 R.sub.3 为氢原子且 R.sub.4 为氢原子，所述的烷基基团，所述的烷氧基基团，所述的烯基基团，所述的烷酰基团或所述的苄基，当 R.sub.1 为氢原子且 R.sub.2 为氨基或所述的烷基氨基基团时，R.sub.3 和 R.sub.4 分别为氢原子或它们可以相同或不同，每个代表所述的烷基基团，当 R.sub.1 为氨基且 R.sub.2 为硝基时，R.sub.3 和 R.sub.4 可以相同或不同，每个代表所述的烷基基团或 R.sub. 3 为氢原子且 R.sub.4 为所述的烷基基团或所述的烯基基团，当 R.sub.1 为所述的基团 ##STR3## 且 R.sub.2 为硝基时，R.sub.3 和 R.sub.4 与 R.sub.5 和 R.sub.6 相同。它们在球虫病的治疗中非常有效，特别是由属于 Eimeria tenella 或 E. necatrix 物种的原生动物引起的球虫病。
• ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES
  申请人：Gatti McArthur Silvia

  公开号：US20080300250A1

  公开（公告）日：2008-12-04

  The present invention relates to compounds of formula (I): wherein R 1 to R 3 , A, M, L, E, G, and J are as defined in the description and claims. The invention also relates to a process for the manufacture of such compounds, pharmaceutical compositions containing them, and methods for treating CNS disorders.

  本发明涉及式(I)的化合物： 其中R1至R3，A，M，L，E，G和J如描述和索赔中所定义。本发明还涉及制备这种化合物的方法，含有这些化合物的药物组合物以及治疗中枢神经系统疾病的方法。
• MORISAWA YASUHIRO; KATAOKA MITSURU; NAGAHORI HITOSHI; SAKAMOTO TOSHIAKI; +, J. MED. CHEM., 1980, 23, NO 12, 1376-1380
  作者：MORISAWA YASUHIRO、 KATAOKA MITSURU、 NAGAHORI HITOSHI、 SAKAMOTO TOSHIAKI、 +

  DOI：——

  日期：——