环丙基亚磺酸钠 | 910209-21-1

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸盐/亚磺酸盐
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 亚磺酸及其衍生物
• 中文名称: 环丙基亚磺酸钠
• 中文别名: 环丙烷亚磺酸钠
• 英文名称: sodium cyclopropylsulfinate
• 英文别名: sodium cyclopropanesulfinate；cyclopropanesulfinic acid sodium salt；cyclopropylsulfinyloxy sodium；cyclopropylsulfinic acid sodium salt；sodium;cyclopropanesulfinate
• CAS: 910209-21-1
• 化学式: C₃H₅O₂S*Na
• 分子量: 128.127
• InChiKey: CQSFZPDGBPHCHV-UHFFFAOYSA-M

物化性质

• 熔点：
  245-248°C

计算性质

• 辛醇/水分配系数(LogP)：
  -2.97
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2930909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Sodium cyclopropanesulfinate
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: Sodium cyclopropanesulfinate
CAS number: 910209-21-1

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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: C3H5O2S.Na
Molecular weight: 128.1

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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, 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

制备方法与用途

应用

环丙基亚磺酸钠可用作医药合成中间体。

制备

环丙基亚磺酸钠的制备过程如下：首先，将亚硫酸钠（1.32 g，1.1 mmol）和碳酸氢钠（1.6 g，20.0 mmol）溶解在15 mL纯水中。随后，在55℃下搅拌反应10分钟后，缓慢滴加环丙磺酰氯（1.4 g，10.0 mmol）。继续将混合物在60℃下搅拌3小时后，直接浓缩水分，最终得到环丙亚磺酸钠（约4 g）。

反应信息

• 作为反应物：
  描述：

  环丙基亚磺酸钠 在 碘 、 ammonium hydroxide 、 水 作用下， 反应 3.33h， 以32%的产率得到环丙磺酰胺
  参考文献：
  名称：

  在室温下在无金属条件下由亚磺酸钠和胺或氨形成的磺酰胺

  摘要：

  证明了一种新颖，实用，高效的方法来构建由I 2介导的多种磺酰胺。在室温下，使用各种亚磺酸钠和胺或水中的氨，按照无金属，无碱，无配体或无添加剂的方案，可以轻松地进行反应。伯，仲和叔磺酰胺的收率高至优异，并且具有宽泛的官能团耐受性。

  DOI：

  10.1039/c4gc02236j
• 作为产物：
  描述：

  环丙磺酰氯 在 碳酸氢钠 、 sodium sulfite 作用下， 以 水 为溶剂， 反应 4.0h， 以70%的产率得到环丙基亚磺酸钠
  参考文献：
  名称：

  亚磺酸钠与2H-吲唑之间的电化学自由基-自由基交叉偶联方法成为3-磺酰化2H-吲唑。

  摘要：

  在电化学条件下，已开发出亚磺酸钠和2 H-吲唑之间的直接交叉偶联。在恒定电流为7 mA的不分隔电池中利用石墨阳极和铂阴极可以使亚磺酸盐和2 H-吲唑同时氧化为磺酰基和自由基阳离子2 H-吲唑，从而促进了自由基与自由基的直接偶联反应生成3-磺酰化的2 H-吲唑衍生物。不含过渡金属和氧化还原试剂的合成方法应作为实现杂芳族化合物的有价值的合成工具。

  DOI：

  10.1021/acs.orglett.0c02144

文献信息

• [EN] AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS D'AZÉTIDIN-3-YLMÉTHANOL EN TANT QUE MODULATEURS DU RÉCEPTEUR CCR6
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：WO2021219849A1

  公开（公告）日：2021-11-04

  The present invention relates to compounds of Formula (I), their synthesis and use as CCR6 receptor modulators for the treatment or prevention of various diseases, conditions or disorders.

  本发明涉及式(I)化合物，其合成以及作为CCR6受体调节剂用于治疗或预防各种疾病、状况或障碍。
• [EN] KCNT1 INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS DE KCNT1 ET PROCÉDÉS D'UTILISATION
  申请人：PRAXIS PREC MEDICINES INC

  公开号：WO2020227097A1

  公开（公告）日：2020-11-12

  The present invention is directed to, in part, compounds and compositions useful for preventing and/or treating a neurological disease or disorder, a disease or condition relating to excessive neuronal excitability, and/or a gain-of-function mutation in a gene (e.g., KCNT1). Methods of treating a neurological disease or disorder, a disease or condition relating to excessive neuronal excitability, and/or a gain-of-function mutation in a gene such as KCNT1 are also provided herein.

  本发明部分涉及用于预防和/或治疗神经系统疾病或紊乱、与过度神经元兴奋性有关的疾病或症状，以及基因中的功能增强突变（例如，KCNT1）的化合物和组合物。本文还提供了治疗神经系统疾病或紊乱、与过度神经元兴奋性有关的疾病或症状，以及基因中的功能增强突变（如KCNT1）的方法。
• Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity
  作者：Jack D. Scott、Duane E. DeMong、Thomas J. Greshock、Kallol Basu、Xing Dai、Joel Harris、Alan Hruza、Sarah W. Li、Sue-Ing Lin、Hong Liu、Megan K. Macala、Zhiyong Hu、Hong Mei、Honglu Zhang、Paul Walsh、Marc Poirier、Zhi-Cai Shi、Li Xiao、Gautam Agnihotri、Marco A. S. Baptista、John Columbus、Matthew J. Fell、Lynn A. Hyde、Reshma Kuvelkar、Yinghui Lin、Christian Mirescu、John A. Morrow、Zhizhang Yin、Xiaoping Zhang、Xiaoping Zhou、Ronald K. Chang、Mark W. Embrey、John M. Sanders、Heather E. Tiscia、Robert E. Drolet、Jonathan T. Kern、Sylvie M. Sur、John J. Renger、Mark T. Bilodeau、Matthew E. Kennedy、Eric M. Parker、Andrew W. Stamford、Ravi Nargund、John A. McCauley、Michael W. Miller

  DOI：10.1021/acs.jmedchem.7b00045

  日期：2017.4.13

  set out to develop LRRK2 inhibitors to test this hypothesis. A high throughput screen of our compound collection afforded a number of promising indazole leads which were truncated in order to identify a minimum pharmacophore. Further optimization of these indazoles led to the development of MLi-2 (1): a potent, highly selective, orally available, brain-penetrant inhibitor of LRRK2.

  富含亮氨酸的重复激酶2（LRRK2）是一种大型的多结构域蛋白，除其他区域外，还包含一个激酶结构域和GTPase结构域。具有在激酶结构域中获得功能突变（例如最普遍的G2019S突变）的个体与帕金森氏病（PD）发生的风险增加相关。鉴于这种抑制LRRK2激酶活性作为影响疾病进展的潜在手段的基因验证，我们的团队着手开发LRRK2抑制剂来验证这一假设。我们化合物收集物的高通量筛选提供了许多有前途的吲唑线索，这些线索被截短以鉴定最小的药效团。这些吲唑的进一步优化导致MLi-2（1）：一种有效的，高度选择性的，口服可得的LRRK2脑渗透抑制剂。
• [EN] 6-(MORPHOLIN-4-YL)-PYRIDIN-2-YL-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS M-TOR INHIBITORS<br/>[FR] DÉRIVÉS DE 6-(MORPHOLIN-4-YL)-PYRIDIN-2-YL-1H-PYRROLO[3,2-B]PYRIDINE EN TANT QU'INHIBITEURS DE M-TOR
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019115640A1

  公开（公告）日：2019-06-20

  The invention relates to compounds of formula (I) wherein R1, R2, R3, R4, L and A are as defined in the description and claims, or pharmaceutically acceptable salts thereof having mTOR kinase inhibitor activity. The invention also relates to pharmaceutical compositions including a compound of formula (I) or a pharmaceutically acceptable salt thereof, and to the use of a compound of formula (I) or a pharmaceutically acceptable salt thereof in therapy, including in the treatment of a disease or condition for which an mTOR kinase inhibitor activity is indicated, and in particular the treatment of idiopathic pulmonary fibrosis.

  该发明涉及式(I)的化合物，其中R1、R2、R3、R4、L和A如描述和索赔中所定义，或其药学上可接受的盐，具有mTOR激酶抑制剂活性。该发明还涉及包括式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗中使用式(I)的化合物或其药学上可接受的盐，包括治疗需要mTOR激酶抑制剂活性的疾病或症状，特别是治疗特发性肺纤维化。
• 1-苯基-2-(苯砜基)甲基-2-丙烯-1-酮、衍生 物及其合成方法
  申请人：湘潭大学

  公开号：CN108047102B

  公开（公告）日：2019-06-07

  本发明主要涉及一种在廉价易得的金属路易斯酸催化剂、氧化剂和相转移催化剂共同作用下，以N，N‑二甲基乙酰胺为碳源提供两个合成子，与酮类化合物、亚磺酸钠类化合物一锅多组分高效绿色的生成1‑苯基‑2‑(苯砜基)甲基‑2‑丙烯‑1‑酮及其衍生物的方法。