1,3-苯并噻唑-5-甲醛 | 394223-38-2

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 1,3-苯并噻唑-5-甲醛
• 中文别名: 5-醛基苯并噻唑
• 英文名称: benzo[d]thiazole-5-carbaldehyde
• 英文别名: 1,3-benzothiazole-5-carbaldehyde；benzothiazole-5-carbaldehyde
• CAS: 394223-38-2
• 化学式: C₈H₅NOS
• mdl: MFCD11858591
• 分子量: 163.2
• InChiKey: YMEMSAXFUBUVNV-UHFFFAOYSA-N

物化性质

• 沸点：
  311.4±15.0 °C(Predicted)
• 密度：
  1.384

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934200090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Benzothiazolecarboxaldehyde
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: 5-Benzothiazolecarboxaldehyde
CAS number: 394223-38-2

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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, refrigerated.
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: C8H5NOS
Molecular weight: 163.2

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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

反应信息

• 作为反应物：
  描述：

  1,3-苯并噻唑-5-甲醛 在 sodium hypochlorite 、 盐酸羟胺 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 (+/-)-3-(benzo[d]thiazol-5-yl)-4-(2,4-dimethoxybenzyl)-4H-1'-azaspiro[[1,2,4]oxadiazole-5,3'-bicyclo[2.2.2]octane]
  参考文献：
  名称：

  [EN] SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS
  [FR] COMPOSÉS SPIRO-OXADIAZOLINE EN TANT QU'AGONISTES DES RÉCEPTEURS DE L'ACÉTYLCHOLINE Α-7 NICOTINIQUE

  摘要：

  本发明涉及新型螺环-噁二唑啉化合物，适用作a7-nAChR的激动剂或部分激动剂，以及这些化合物和组合物的制备方法、药物组合物，以及在维持、治疗和/或改善认知功能的方法中使用这些化合物和组合物。具体而言，涉及向需要的患者（例如患有认知缺陷和/或希望增强认知功能的患者）施用螺环-噁二唑啉cx7-nAChR激动剂或部分激动剂的方法，以使其获益。

  公开号：

  WO2015066371A1
• 作为产物：
  描述：

  5-羧酸乙酯苯并噻唑 在 二异丁基氢化铝 、 manganese(IV) oxide 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 4.25h， 以29%的产率得到1,3-苯并噻唑-5-甲醛
  参考文献：
  名称：

  [EN] ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES
  [FR] DERIVES D'ANABASEINE UTILES POUR LE TRAITEMENT DE MALADIES NEURODEGENERATIVES

  摘要：

  本发明的化合物的化学式为（I）：其中A、R3、R4如本文所定义，可用作尼古丁受体的配体。

  公开号：

  WO2004019943A1

文献信息

• Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity
  申请人：——

  公开号：US20040038998A1

  公开（公告）日：2004-02-26

  Aminopiperidine derivatives of formula (I) and pharmaceutically acceptable derivatives thereof useful in methods of treatment of bacterial infections in mammals, particularly in man. 1

  氨基哌啶衍生物的公式(I)及其药物可接受的衍生物，用于治疗哺乳动物，特别是人类的细菌感染。
• Unveiling RNA‐Binding Properties of Verapamil and Preparation of New Derivatives as Inhibitors of HIV‐1 Tat‐TAR Interaction
  作者：Céline Martin、Serena De Piccoli、Marc Gaysinski、Cécile Becquart、Stéphane Azoulay、Audrey Di Giorgio、Maria Duca

  DOI：10.1002/cplu.201900650

  日期：2020.1

  therapeutic applications since coding and non‐coding RNAs bear a pivotal role both in viral and bacterial infections as well as in human pathologies such as cancer. Here, we focused on the targeting of HIV‐1 TAR RNA as a promising target for the development of new anti‐HIV therapies but also as an ideal model to validate the discovery of original RNA ligands. First, we performed an initial screening of a

  由于编码和非编码RNA在病毒和细菌感染以及人类病理疾病（例如癌症）中都起着关键作用，因此现在已经确立了使用小分子靶向RNA的许多治疗应用前景非常广阔的策略。在这里，我们专注于将HIV-1 TAR RNA作为开发新的抗HIV疗法的有希望的目标，同时也是验证原始RNA配体发现的理想模型。首先，我们对抗TAR的化合物库进行了初步筛选，从而发现了市售的钙通道阻滞剂维拉帕米，作为开发新RNA配体的有前途的化学结构。一系列维拉帕米类似物的合成导致了有希望的结构活性关系，并导致了化合物2h的发现，维拉帕米与吲哚片段之间的结合物，作为一种有效且选择性的TAR结合物，能够抑制TAt / TAR相互作用，IC50为18.8 µM。这项工作为发现原始和选择性的RNA配体提供了库筛选的潜力，并说明了如何仍需要研究针对蛋白质靶标的现有药物进行RNA结合，这是小分子靶向RNA领域中的一种有前途的策略。
• [EN] AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES<br/>[FR] DÉRIVÉS D'AZÉTIDINE UTILES POUR LE TRAITEMENT DE MALADIES MÉTABOLIQUES ET INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2012098033A1

  公开（公告）日：2012-07-26

  Compounds are disclosed that have a formula represented by the following: These compounds may be prepared as a pharmaceutical composition, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example inflammatory conditions, infectious diseases, autoimmune diseases, diseases involving impairment of immune cell functions, cardiometabolic diseases, and/or proliferative diseases.

  披露了具有以下表示的公式的化合物：这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如炎症性疾病、传染病、自身免疫疾病、涉及免疫细胞功能受损的疾病、心脏代谢疾病和/或增殖性疾病，举例不限。
• [EN] BICYCLIC OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA BICYCLIQUE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018109198A1

  公开（公告）日：2018-06-21

  The present invention relates to O-GlcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C9ORF72 mutations.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这类化合物的药物组合物，制备这类化合物和组合物的方法，以及利用这类化合物和组合物预防和治疗抑制OGA有益的疾病的用途，例如tau病变，特别是阿尔茨海默病或进行性上核性麻痹症；以及伴有tau病理的神经退行性疾病，特别是由C9ORF72突变引起的肌萎缩侧索硬化或额颞叶痴呆症。
• 苄亚基环己烯酮衍生物及其制备方法和医药 用途
  申请人：南通大学

  公开号：CN106673988B

  公开（公告）日：2020-04-10

  本发明公开了一种苄亚基环己烯酮衍生物及其制备方法和医药用途，所述苄亚基环己烯酮衍生物为通式I化合物。本发明化合物可以单独或与一种或一种以上的药学上可接受的载体组合制成制剂以供给药。本发明化合物可以与其他抗肿瘤药物联合应用，另外还可以与放射治疗联合应用。这些其他抗肿瘤药物或放射治疗可以与本发明化合物同时或在不同时间给予。这些联合治疗可以产生协同作用从而有助于改善治疗效果。