喹啉-7-硼酸 | 629644-82-2

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 喹啉-7-硼酸
• 中文别名: 7-喹啉硼酸
• 英文名称: quinolin-7-ylboronic acid
• 英文别名: quinoline-7-boronic acid；7-quinolylboronic acid；7-quinolinylboronic acid；7-quinolineboronic acid
• CAS: 629644-82-2
• 化学式: C₉H₈BNO₂
• 分子量: 172.979
• InChiKey: ZMEMBOIUHLWVRX-UHFFFAOYSA-N

物化性质

• 沸点：
  400.3±37.0 °C(Predicted)
• 密度：
  1.28

计算性质

• 辛醇/水分配系数(LogP)：
  -0.09
• 重原子数：
  13
• 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：
  53.4
• 氢给体数：
  2
• 氢受体数：
  3

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Quinolin-7-ylboronic acid
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: Quinolin-7-ylboronic acid
CAS number: 629644-82-2

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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: C9H8BNO2
Molecular weight: 173.0

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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.

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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：

  喹啉-7-硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 水 、 potassium carbonate 、 戴斯-马丁氧化剂 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.0h， 生成 N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(quinolin-7-yl)-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  [EN] METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS
  [FR] MÉTHODES DE TRAITEMENT DE LA FIBROSE HÉPATIQUE À L'AIDE D'INHIBITEURS DE CALPAIN

  摘要：

  本文披露了通过向需要的受试者施用卡尔佩因抑制剂来治疗肝纤维化的方法。

  公开号：

  WO2020006294A1
• 作为产物：
  描述：

  7-碘喹啉 在 正丁基锂 、 硼酸三甲酯 、 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 4.67h， 生成 喹啉-7-硼酸
  参考文献：
  名称：

  Vanilloid receptor ligands and their use in treatments

  摘要：

  含有替代氮的杂环化合物及其组成物，用于治疗急性、炎性和神经痛、牙痛、普通头痛、偏头痛、集群头痛、混合血管和非血管综合症、紧张性头痛、普通炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠病、炎症性眼疾、炎症性或不稳定膀胱疾病、牛皮癣、带有炎症成分的皮肤疾病、慢性炎症状况、炎症性疼痛及相关的过敏性疼痛和触痛、神经痛及相关的过敏性疼痛和触痛、糖尿病神经病疼痛、烧灼性疼痛、交感神经维持性疼痛、去神经症候群、哮喘、上皮组织损伤或功能障碍、单纯疱疹、呼吸、泌尿、胃肠或血管区域内脏运动障碍、创伤、烧伤、过敏性皮肤反应、瘙痒、白癜风、普通胃肠疾病、胃溃疡、十二指肠溃疡、腹泻、坏死性剂引起的胃病变、头发生长、血管运动或过敏性鼻炎、支气管疾病或膀胱疾病。

  公开号：

  US20060089360A1

文献信息

• [EN] CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF<br/>[FR] MODULATEURS DE CALPAÏNE ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：BLADE THERAPEUTICS INC

  公开号：WO2019190885A1

  公开（公告）日：2019-10-03

  Small molecule calpain modulator compounds, including their pharmaceutically acceptable salts, can be included in pharmaceutical compositions. The compounds can be useful in inhibiting calpain, or competitive binding with calpastatin, by contacting them with CAPN1, CAPN2, and/or CAPN9 enzymes residing inside a subject. The compounds and composition can also be administered to a subject in order to treat a fibrotic disease or a secondary disease state or condition of a fibrotic disease.

  小分子钙蛋白酶调节剂化合物，包括其药用可接受的盐，可以包含在药物组合物中。这些化合物可以通过与主体内的CAPN1、CAPN2和/或CAPN9酶接触来抑制钙蛋白酶，或与钙蛋白酶抑制剂竞争性结合。这些化合物和组合物也可以被用于治疗纤维化疾病或纤维化疾病的继发疾病状态或病情。
• [EN] ANTI-CANCER AND ANTI-HIV COMPOUNDS<br/>[FR] COMPOSÉS ANTICANCÉREUX ET ANTI-VIH
  申请人：SIRENAS MARINE DISCOVERY

  公开号：WO2014123900A1

  公开（公告）日：2014-08-14

  Disclosed herein are compounds useful as anti-cancer and anti-HIV agents. Also disclosed are pharmaceutical compositions and methods of treatment. The compounds disclosed herein can be used to treat a variety of conditions, diseases and ailments such as bladder cancer, breast cancer, colon cancer, rectal cancer, endometrial cancer, kidney cancer, lung cancer, melanoma, non-Hodgkin lymphoma, glioblastoma, pancreatic cancer, prostate cancer, and thyroid cancer, and HIV related disorders.

  本文披露了作为抗癌和抗HIV药物有用的化合物。还披露了药物组合物和治疗方法。本文披露的化合物可用于治疗多种疾病和疾病，如膀胱癌、乳腺癌、结肠癌、直肠癌、子宫内膜癌、肾癌、肺癌、黑色素瘤、非霍奇金淋巴瘤、胶质母细胞瘤、胰腺癌、前列腺癌和甲状腺癌，以及HIV相关疾病。
• [EN] NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] NOUVEAUX COMPOSÉS POUR INHIBITEURS SÉLECTIFS D'HISTONE DÉSACÉTYLASES ET COMPOSITION PHARMACEUTIQUE LES COMPRENANT
  申请人：CHONG KUN DANG PHARM CORP

  公开号：WO2014178606A1

  公开（公告）日：2014-11-06

  The present invention relates to novel urea derivatives and, more particularly, to novel urea derivatives with histone deacetylase (HDAC) inhibitory activity, isomers thereof, pharmaceutically acceptable salts thereof, their use for the preparation of a medicaments comprising the same, a pharmaceutical composition comprising the same, a treatment method using the composition, and a method for preparing novel urea derivatives. The novel urea derivatives as selective histone deacetylase (HDAC) inhibitors are effective for the treatment of histone deacetylase-mediated diseases such as malignant tumors, inflammatory diseases, rheumatoid arthritis, neurodegeneration, etc.

  本发明涉及新型尿素衍生物，更特别地涉及具有组蛋白去乙酰化酶（HDAC）抑制活性的新型尿素衍生物，其异构体，其药学上可接受的盐，它们用于制备包含相同成分的药物的用途，包含相同成分的药物组合物，使用该组合物的治疗方法，以及制备新型尿素衍生物的方法。作为选择性组蛋白去乙酰化酶（HDAC）抑制剂的新型尿素衍生物对于治疗组蛋白去乙酰化酶介导的疾病，如恶性肿瘤、炎症性疾病、类风湿性关节炎、神经退行性疾病等非常有效。
• [EN] NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME<br/>[FR] NOUVEAUX DÉRIVÉS AZAINDOLE COMME INHIBITEURS SÉLECTIFS DE L'HISTONE DÉSACÉTYLASE (HDAC) ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT
  申请人：CHONG KUN DANG PHARM CORP

  公开号：WO2015087151A1

  公开（公告）日：2015-06-18

  The present invention relates to novel azaindole derivatives, and more particularly, to novel azaindole derivatives having histone deacetylase (HDAC) inhibitory activity, isomers thereof, pharmaceutically acceptable salts thereof, hydrates thereof or solvates thereof, the use thereof for the preparation of pharmaceutical compositions, pharmaceutical compositions containing the same, a method of treating disease using the pharmaceutical compositions, and methods for preparing the novel azaindole derivatives. The novel azaindole derivatives according to the present invention are selective histone deacetylase (HDAC) inhibitors, and may be used as agents for treating malignant tumor diseases, inflammatory diseases, rheumatoid arthritis, and neurodegenerative diseases.

  本发明涉及新型的吖吲哚衍生物，特别是具有组蛋白去乙酰化酶（HDAC）抑制活性的新型吖吲哚衍生物，其异构体，药用可接受的盐，水合物或溶剂化物，以及它们用于制备药物组合物的用途，包含同一的药物组合物，使用该药物组合物治疗疾病的方法，以及制备新型吖吲哚衍生物的方法。根据本发明的吖吲哚衍生物是选择性的组蛋白去乙酰化酶（HDAC）抑制剂，可用作治疗恶性肿瘤疾病，炎症性疾病，类风湿性关节炎和神经退行性疾病的治疗剂。
• Bicyclic heterocycles as HIV integrase inhibitors
  申请人：Naidu Narasimhulu B.

  公开号：US20050267105A1

  公开（公告）日：2005-12-01

  The invention encompasses a series cyclic bicyclic pyrimidinone compounds of Formula I which inhibit HIV integrase and prevent viral integration into human DNA. This action makes the compounds useful for treating HIV infection and AIDS. The invention also encompasses pharmaceutical compositions and methods for treating those infected with HIV.

  这项发明涵盖了一系列环状嘧啶酮化合物，其化学式为I，可以抑制HIV整合酶并防止病毒整合到人类DNA中。这种作用使得这些化合物对治疗HIV感染和艾滋病有用。该发明还涵盖了用于治疗HIV感染者的药物组合物和方法。