2-氯-4-甲基噻唑-5-磺酰氯 | 292138-59-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-氯-4-甲基噻唑-5-磺酰氯
• 英文名称: 2-chloro-4-methylthiazole-5-sulfonyl chloride
• 英文别名: 2-chloro-4-methyl-1,3-thiazole-5-sulphonyl chloride；2-chloro-4-methyl-1,3-thiazole-5-sulfonyl chloride
• CAS: 292138-59-1
• 化学式: C₄H₃Cl₂NO₂S₂
• mdl: MFCD06658401
• 分子量: 232.111
• InChiKey: IBMLFZUEKAQELM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934100090
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P260,P264,P271,P280,P301+P330+P331,P303+P361+P353,P304+P340,P305+P351+P338,P310,P363,P403+P233,P405,P501
• 危险品运输编号：
  3265
• 危险性描述：
  H314,H335
• 储存条件：
  储存条件：2-8°C，密封保存，置于干燥且惰性气体环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-4-methyl-thiazole-5-sulfonyl chloride
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H319: Causes serious eye irritation
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.
Ingredient name: 2-Chloro-4-methyl-thiazole-5-sulfonyl chloride
CAS number: 292138-59-1

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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.
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
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C4H3Cl2NO2S2
Molecular weight: 232.1

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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 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：

  2-氯-4-甲基噻唑-5-磺酰氯 在 甲胺 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 以99.7%的产率得到2-chloro-N,4-dimethylthiazole-5-sulfonamide
  参考文献：
  名称：

  Thiazolyl urea derivatives and their utilization as antiviral agents

  摘要：

  本发明涉及噻唑基脲衍生物，其制备方法以及其作为药物的用途，特别是作为抗病毒药物。

  公开号：

  US06500817B1
• 作为产物：
  描述：

  2-氯-4-甲基噻唑 在 氯磺酸 、 氯化亚砜 作用下， 反应 48.0h， 以43%的产率得到2-氯-4-甲基噻唑-5-磺酰氯
  参考文献：
  名称：

  具有碳酸酐酶抑制作用的噻唑基磺酰胺的铅开发

  摘要：

  与pritelivir结构相关的一系列同类物，N- [5-（氨基磺酰基）-4-甲基-1,3-噻唑-2-基] -N-甲基-2- [4-（2-吡啶基）苯基]乙酰胺制备了用于治疗单纯疱疹病毒感染的解旋酶-引发酶抑制剂。研究了合成的伯磺酰胺和仲磺酰胺作为六种生理和药理相关的人（h）碳酸酐酶（hCA，EC 4.2.1.1）亚型，胞质酶hCA I和II，线粒体hCA VA和VB以及它们的抑制剂的抑制剂。跨膜，与肿瘤相关的hCA IX和XII。低纳摩尔抑制K I检测到所有这些元素的值，并具有非常有趣且定义明确的结构-活性关系。由于许多CA都参与了严重的病理，包括癌症，肥胖，癫痫，青光眼等，因此，这里报道的磺酰胺抑制剂可能会成为候选药物。此外，吡咯韦尔本身是某些CA的有效抑制剂，也抑制了几种哺乳动物的全血酶，这可能是该药物的有利药代动力学特征，可以与血液CA I和II结合转运到全身。

  DOI：

  10.1021/acs.jmedchem.7b00183

文献信息

• Thiazolyl amide derivatives
  申请人：——

  公开号：US20040006076A1

  公开（公告）日：2004-01-08

  The present invention relates to novel compounds, to a process for their preparation and to their use as medicaments, in particular as antiviral medicaments.

  本发明涉及新化合物，以及它们的制备方法和它们作为药物的用途，特别是作为抗病毒药物。
• APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：Kunzer Aaron R.

  公开号：US20100184766A1

  公开（公告）日：2010-07-22

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bcl-2 protein.

  公开了抑制抗凋亡Bcl-2蛋白活性的化合物，包含这些化合物的组合物以及治疗表达抗凋亡Bcl-2蛋白疾病的方法。
• Design and Synthesis of TASIN Analogues Specifically Targeting Colorectal Cancer Cell Lines with Mutant Adenomatous Polyposis Coli (APC)
  作者：Wentian Wang、Lu Zhang、Lorraine Morlock、Noelle S. Williams、Jerry W. Shay、Jef K. De Brabander

  DOI：10.1021/acs.jmedchem.9b00532

  日期：2019.5.23

  small-molecule-based therapies available that specifically target colorectal cancer (CRC) development and progression, the second leading cause of cancer deaths. We previously disclosed the discovery of truncating adenomatous polyposis coli (APC)-selective inhibitor 1 (TASIN-1), a small molecule that specifically targets colorectal cancer cells lines with truncating mutations in the adenomatous polyposis

  尽管靶向抗癌疗法取得了进展，但仍没有针对小分子结肠直肠癌（CRC）发育和进程的小分子疗法，这是导致癌症死亡的第二大原因。我们先前披露了截短性腺瘤性结肠炎（APC）选择性抑制剂1（TASIN-1）的发现，这是一种小分子，可通过抑制腺瘤性息肉病（APC）肿瘤抑制基因中的截短突变而特异性靶向结直肠癌细胞系胆固醇的生物合成。在这里，我们报告了TASIN类似物的集合及其对结肠癌细胞系和等基因细胞系对活性的报告，报告了APC依赖选择性的状态。鉴定出许多有效的和选择性的类似物，包括具有良好代谢稳定性和药代动力学特性的化合物。本文报道的化合物代表了首个基因型选择性系列，该系列特异性靶向大多数CRC患者中存在的aPC突变，并充当结肠癌靶向治疗的翻译平台。
• Pyridine and pyrimidine derivatives as mGIuR2 antagonists
  申请人：McArthur Silvia Gatti

  公开号：US20070232583A1

  公开（公告）日：2007-10-04

  The present invention relates to compounds of formula (I), a process for the manufacture thereof, pharmaceutical compositions containing them, and their use for treating CNS disorders: wherein A, B, X, Y, R 1 , R 2 , R 3 and R 4 are as defined in the description and claims.

  本发明涉及式(I)的化合物，其制造方法，含有它们的药物组合物，以及它们用于治疗中枢神经系统疾病的用途：其中A、B、X、Y、R1、R2、R3和R4如描述和权利要求中所定义。
• 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。