2,3-二氢-1H-吡咯[3,4-C]吡啶盐酸盐 | 651558-58-6

• 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: 2,3-二氢-1H-吡咯[3,4-C]吡啶盐酸盐
• 中文别名: 2,3-二氢-1H-吡咯并[3,4-c]吡啶盐酸盐；2,3-二溴异丁酸
• 英文名称: 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine hydrochloride
• 英文别名: 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;hydrochloride
• CAS: 651558-58-6
• 化学式: C₇H₈N₂*ClH
• 分子量: 156.615
• InChiKey: PDMGKSJRAQJZDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  24.9
• 氢给体数：
  2
• 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: 2,3-Dihydro-1h-pyrrolo[3,4-c]pyridine, HCl
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: 2,3-Dihydro-1h-pyrrolo[3,4-c]pyridine, HCl
CAS number: 651558-58-6

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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: C7H8N2.ClH
Molecular weight: 156.6

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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

反应信息

• 作为反应物：
  描述：

  2,3-二氢-1H-吡咯[3,4-C]吡啶盐酸盐 在 sodium cyanoborohydride 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 24.0h， 生成 5-(2,2,2-trifluoroethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-c]pyridine trifluoroacetate salt
  参考文献：
  名称：

  [EN] CARM1 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE CARM1 ET LEURS UTILISATIONS

  摘要：

  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。

  公开号：

  WO2016044604A1
• 作为产物：
  描述：

  1H-吡咯并[3,4-c]吡啶-2(3h)-羧酸乙酯 在 盐酸 作用下， 以 丙酮 为溶剂， 生成 2,3-二氢-1H-吡咯[3,4-C]吡啶盐酸盐
  参考文献：
  名称：

  7-azaisoindolinyl-quinolone-carboxylic acid derivatives

  摘要：

  这项发明涉及新的喹诺酮羧酸衍生物，其在7位被一个可选择部分氢化的氮杂异吲哚环取代，以及它们的制备过程，以及含有它们的抗菌剂和饲料添加剂。

  公开号：

  US05312823A1

文献信息

• SUBSTITUTED SULFONAMIDE COMPOUNDS
  申请人：OBERBOERSCH Stefan

  公开号：US20080153843A1

  公开（公告）日：2008-06-26

  Substituted sulfonamide derivatives, a process for their preparation, pharmaceutical compositions containing these compounds, and to the use of substituted sulfonamide derivatives in the treatment or inhibition of pain and/or various disorders or disease states.

  磺胺取代物，其制备方法，含有这些化合物的药物组合物，以及磺胺取代物在治疗或抑制疼痛和/或各种疾病或疾病状态中的用途。
• [EN] HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] N-AMINOPHÉNYL-AMIDES HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE L'HISTONE DÉSACÉTYLASE
  申请人：RODIN THERAPEUTICS INC

  公开号：WO2017007755A1

  公开（公告）日：2017-01-12

  This invention provides compounds that are inhibitors of HDAC2. The compounds (e.g., compounds according to Formula (I) or any one of Compounds 100-175) accordingly are useful for treating, alleviating, or preventing a condition in a subject such as a neurological disorder, memory or cognitive function disorder or impairment, extinction learning disorder, fungal disease or infection, inflammatory disease, hematological disease, or neoplastic disease, or for improving memory or treating, alleviating, or preventing memory loss or impairment.

  这项发明提供了抑制HDAC2的化合物。这些化合物（例如，符合式（I）的化合物或化合物100-175中的任何一种）可用于治疗、缓解或预防受试者中的某种疾病，如神经系统疾病、记忆或认知功能障碍或损伤、消退学习障碍、真菌疾病或感染、炎症性疾病、血液疾病或肿瘤性疾病，或用于改善记忆或治疗、缓解或预防记忆丧失或损伤。
• [EN] TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE TRIAZOLOTRIAZINE EN TANT QU'ANTAGONISTES DU RÉCEPTEUR A2A
  申请人：ZHEJIANG VIMGREEN PHARMACEUTICALS LTD

  公开号：WO2020002969A1

  公开（公告）日：2020-01-02

  The present invention provides triazolotriazine derivatives of formula (1) as A2A receptor antagonists. Compounds of formula (1) and pharmaceutical compositions including the compounds can be used for the treatment of disorders related to A2A receptor hyperfunctioning, such as certain types cancers. Compounds of formula (1) and methods of preparing the compounds are disclosed in the invention.

  本发明提供了公式（1）的三唑三嗪衍生物作为A2A受体拮抗剂。公式（1）的化合物和包括这些化合物的药物组合物可用于治疗与A2A受体过度功能有关的疾病，如某些类型的癌症。该发明揭示了公式（1）的化合物和制备这些化合物的方法。
• [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] FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS<br/>[FR] HÉTÉROCYCLES BICYCLIQUES FUSIONNÉS EN TANT QU'AGENTS THÉRAPEUTIQUES
  申请人：UNIV NEW YORK

  公开号：WO2020073031A1

  公开（公告）日：2020-04-09

  This disclosure relates to compounds, pharmaceutical compositions comprising them, and methods of using the compounds and compositions for treating diseases related to nicotinamide phosphoribosyltransferase (NAM FT) expression. More particularly, this disclosure relates to fused bicyclic heterocyclic compounds and pharmaceutical compositions thereof, methods of inhibiting NAM FT with these compounds, and methods of treating diseases related to NAMPT expression.

  这份披露涉及化合物、包含它们的药物组合物，以及使用这些化合物和组合物治疗与烟酰胺磷酸核糖转移酶（NAM FT）表达相关的疾病的方法。更具体地，这份披露涉及融合的双环杂环化合物及其药物组合物，使用这些化合物抑制NAM FT的方法，以及治疗与NAMPT表达相关疾病的方法。