6,7-二氢-5H-吡咯[3,4-b]吡啶盐酸盐 | 147740-02-1

• 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 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 6,7-二氢-5H-吡咯[3,4-b]吡啶盐酸盐
• 英文名称: 6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine dihydrochloride
• 英文别名: 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
• CAS: 147740-02-1
• 化学式: C7H10Cl2N2
• mdl: MFCD09607967
• 分子量: 193.07
• InChiKey: FZBCVKVGLQRBHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.15
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  24.9
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine DiHCl
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: 6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine DiHCl
CAS number: 147740-02-1

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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, 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: C7H8N2.2ClH
Molecular weight: 193.1

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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.

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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

6,7-二氢-5H-吡咯[3,4-b]吡啶盐酸盐可作为有机合成中间体和医药中间体，主要用于实验室研发过程和化工医药生产过程中。

制备

在氮气氛围下，将干燥的烧瓶中加入6-(2,4-二甲氧基苄基)-6,7-二氢-5H-吡咯并[3,4-b]吡啶（34.9 mmol）。随后向反应混合物中添加三氟乙酸（27 mL）和三乙基硅烷（6.0 mL）。搅拌反应混合物，并将其加热至60 °C，保持5小时。通过真空除去挥发性物质，得到粘稠的油状产物。

将残余物加入到4 M 盐酸溶液（二氧六环中，40 mL）和乙酸乙酯（50 mL）中，在室温下剧烈搅拌约1小时以产生沉淀。通过过滤分离固体，并用乙酸乙酯（25 mL）洗涤固体。最终在真空条件下干燥固体。

反应信息

• 作为反应物：
  描述：

  (5-amino-7-methoxy[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetic acid 、 6,7-二氢-5H-吡咯[3,4-b]吡啶盐酸盐 、 N,N-二异丙基乙胺 、 1-丙基磷酸酐 在 acetonitrile-water 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 16.17h， 生成 2-(5-amino-7-methoxy[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethanone
  参考文献：
  名称：

  HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES

  摘要：

  本文披露了G1式化合物（结构式表示）：其中“RG3”、“Rd1”至“Rd4”、“n”、“m”、“p”、“W”、“X”、“Y”和“Z”在此定义，这些化合物是A2A受体的拮抗剂。本文还披露了所述化合物作为A2A受体拮抗剂在潜在的涉及A2A受体的神经系统疾病的治疗或预防中的用途。本文还披露了包含这些化合物的制药组合物和这些制药组合物的用途。

  公开号：

  US20150361098A1
• 作为产物：
  描述：

  ethyl 5,7-dihydro-1H-pyrrolo-[3,4-b]pyridine-6-carboxylate 、 盐酸 在 丙酮 作用下， 反应 16.0h， 生成 6,7-二氢-5H-吡咯[3,4-b]吡啶盐酸盐
  参考文献：
  名称：

  Naphthyridonecarboxylic acid derivatives

  摘要：

  本发明涉及在7位被一个可选部分氢化的氮杂异吲哚环取代的萘啶酮羧酸衍生物，其制备过程以及含有它们的抗菌剂和饲料添加剂。

  公开号：

  US05371090A1

文献信息

• [EN] 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER<br/>[FR] DÉRIVÉS DE 2-CYANOISOINDOLINE POUR LE TRAITEMENT DU CANCER
  申请人：MISSION THERAPEUTICS LTD

  公开号：WO2017158388A1

  公开（公告）日：2017-09-21

  The invention relates to novel compounds of formula I which are inhibitors of deubiquitylating enzymes (DUBs) and/or desumoylating enzymes. In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase 7 or ubiquitin specific peptidase 7 (USP7). The invention further relates to methods for the preparation of these compounds and to their use in the treatment of cancer.

  这项发明涉及公式I的新化合物，这些化合物是去泛素化酶（DUBs）和/或去泛素化酶的抑制剂。具体来说，该发明涉及抑制泛素C端水解酶7或泛素特异性肽酶7（USP7）。该发明还涉及这些化合物的制备方法以及它们在癌症治疗中的应用。
• [EN] DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS<br/>[FR] DIHYDROPYRIDAZINONES SUBSTITUÉES PAR DES PHÉNYLURÉES
  申请人：BAYER PHARMA AG

  公开号：WO2018086703A1

  公开（公告）日：2018-05-17

  Compounds of formula (I) which are nicotinamide phosphoribosyltransferase (NAMPT) inhibitors and their use for the treatment of hyperproloferative diseases and/or disorders responsive to induction of cell death.

  式（I）的化合物是烟酰胺磷酸核糖转移酶（NAMPT）抑制剂，可用于治疗对诱导细胞死亡敏感的增生性疾病和/或紊乱。
• [EN] HSP90 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE HSP90 ET LEURS UTILISATIONS
  申请人：UNIV BOSTON

  公开号：WO2020227368A1

  公开（公告）日：2020-11-12

  Herein is described the design and synthesis of resorcylate aminopyrazole compounds. These compounds show broad, potent and fungal-selective Hsp90 inhibitory activity. These compounds also find use in treating Hsp90 related deseases.

  这里描述了对间苯二酚氨基吡唑化合物的设计和合成。这些化合物表现出广泛、强效且对真菌选择性的Hsp90抑制活性。这些化合物还可用于治疗与Hsp90相关的疾病。
• [EN] CARM1 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE CARM1 ET LEURS UTILISATIONS
  申请人：EPIZYME INC

  公开号：WO2016044604A1

  公开（公告）日：2016-03-24

  Provided herein are compounds of Formula (I): and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, wherein R1, R2a, R2b, R3 and Ring B are as defined herein, and Ring A is a group of Formula (A-i), (A-ii), or (A-iii): wherein R, R, R, R, and R are as defined herein. Compounds of the present invention are useful for inhibiting CARMl activity. Methods of using the compounds for treating CARMl -mediated disorders are also described.

  本文提供的是Formula (I)的化合物及其药用盐，以及药物组合物，其中R1、R2a、R2b、R3和环B如本文所定义，环A是Formula (A-i)、(A-ii)或(A-iii)的基团：其中R、R、R、R和R如本文所定义。本发明的化合物可用于抑制CARM1活性。还描述了利用这些化合物治疗CARM1介导的疾病的方法。
• Bicyclic heterocyclic substituted phenyl oxazolidinone antibacterials, and related compositions and methods
  申请人：——

  公开号：US20020161029A1

  公开（公告）日：2002-10-31

  Bicyclic heterocyclic substituted phenyl oxazolidinone compounds of the formula: 1 wherein Y is a radical of Formulae II or III: 2 in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  具有以下结构的双环杂环取代苯基噁唑啉酮化合物：其中Y是Formulae II或III的基团：其中取代基具有描述中指示的含义。这些化合物可用作抗菌剂。