5H,10H-二咪唑并[1,5-a:1, 5-d] 吡嗪-5,10-二酮 | 53525-65-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并[1,5-a]吡嗪
• 中文名称: 5H,10H-二咪唑并[1,5-a:1, 5-d] 吡嗪-5,10-二酮
• 中文别名: 5H,10H-二咪唑并[1,5-a:1,5-d]吡嗪-5,10-二酮；5H,10H-二咪唑[1,5-A:1',5'-D]吡嗪-5,10-二酮；5H,10H-二咪唑[1,5-A:1', 5'-D]吡嗪-5,10-二酮；5H,1H-二咪唑[1,5-A:1', 5'-D]吡嗪-5,1-二酮
• 英文名称: 5H,10H-diimidazo[1,5-a:1,5-d]pyrazine-5,10-dione
• 英文别名: Diimidazo<3,4-a;3',4'-d>piperazine-2,5-dione；diamidazo<3,4-a,3',4'-d>piperazino-2,5-dione；diimidazo<3,4-a:3',4'-d>pyrazine-5,10-dione；diimidazo[1,2-a]piperazine-5,10-dione；diimidazo[1,5-a]piperazine-5,10-dione；diimidazopiperazine-2,5-dione；5H,10H-Diimidazo[1,5-a:1',5'-d]pyrazine-5,10-dione；1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
• CAS: 53525-65-8
• 化学式: C₈H₄N₄O₂
• mdl: MFCD01631199
• 分子量: 188.145
• InChiKey: UYAAVKFHBMJOJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C，干燥密封保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Diimidazo[1,5-a:1’,5’-d]pyrazine-5,10-dione, 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: Diimidazo[1,5-a:1’,5’-d]pyrazine-5,10-dione, DiHCl
CAS number: 53525-65-8

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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: C8H6Cl2N4O2
Molecular weight: 261.1

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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

反应信息

• 作为反应物：
  描述：

  5H,10H-二咪唑并[1,5-a:1, 5-d] 吡嗪-5,10-二酮 以 乙醇 为溶剂， 反应 18.0h， 以39%的产率得到咪唑-4-甲酸乙酯
  参考文献：
  名称：

  Yasuda, Naohiko; Nakamura, Asao; Tsuboi, Masamichi, Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 303 - 307

  摘要：

  DOI：
• 作为产物：
  描述：

  咪唑-4-甲酸甲酯 750.0 ℃ 、0.13 Pa 条件下， 以20%的产率得到5H,10H-二咪唑并[1,5-a:1, 5-d] 吡嗪-5,10-二酮
  参考文献：
  名称：

  Diazafulvenones. Thermal isomerizations and eliminations in alkoxycarbonyl and anilinocarbonyl derivatives of imidazole

  摘要：

  DOI：

  10.1021/jo00353a006

文献信息

• Novel Dual-Targeting Benzimidazole Urea Inhibitors of DNA Gyrase and Topoisomerase IV Possessing Potent Antibacterial Activity: Intelligent Design and Evolution through the Judicious Use of Structure-Guided Design and Stucture−Activity Relationships
  作者：Paul S. Charifson、Anne-Laure Grillot、Trudy H. Grossman、Jonathan D. Parsons、Michael Badia、Steve Bellon、David D. Deininger、Joseph E. Drumm、Christian H. Gross、Arnaud LeTiran、Yusheng Liao、Nagraj Mani、David P. Nicolau、Emanuele Perola、Steven Ronkin、Dean Shannon、Lora L. Swenson、Qing Tang、Pamela R. Tessier、Ski-Kai Tian、Martin Trudeau、Tiansheng Wang、Yunyi Wei、Hong Zhang、Dean Stamos

  DOI：10.1021/jm800318d

  日期：2008.9.11

  hospital- and community-acquired infections. The discovery and optimization of this novel class of antibacterials by the use of structure-guided design, modeling, and structure-activity relationships are described. Data are presented for enzyme inhibition, antibacterial activity, and in vivo efficacy by oral and intravenous administration in two rodent infection models.

  为了克服影响所有目前使用的抗生素种类的细菌耐药性问题，发现具有新颖作用机制的新型抗菌剂是必要的。细菌DNA促旋酶和拓扑异构酶IV是氟喹诺酮类抗生素的特征明确的临床验证靶标，它们通过抑制催化亚基发挥其抗菌活性。通过与它们的ATP位点相互作用来抑制这些靶标在临床上不太成功。提出了一种新型的低分子量，与ATP位点结合的回旋酶和拓扑异构酶IV合成抑制剂的发现和表征。苯并咪唑脲是两种酶的双重靶向抑制剂，并且对引起医院和社区获得性感染的各种相关病原体具有有效的抗菌活性。描述了通过使用结构指导的设计，建模和结构-活性关系来发现和优化这种新型抗菌剂。提供了在两种啮齿动物感染模型中通过口服和静脉内给药的酶抑制，抗菌活性和体内功效的数据。
• Pyrazolopyrimidines as therapeutic agents
  申请人：Abbott Laboratories

  公开号：US20020156081A1

  公开（公告）日：2002-10-24

  The present invention provides compounds of Formula I, 1 including pharmaceutically acceptable salts and/or prodrugs thereof, where G, R 2 , and R 3 are defined as described herein.

  本发明提供了公式I的化合物，包括其药学上可接受的盐和/或前药，其中G、R2和R3的定义如本文所述。
• 4-(aroylamino)piperidine-butanimide derivatives
  申请人：Janssen Pharmaceutica

  公开号：US04990521A1

  公开（公告）日：1991-02-05

  A method of treating warm-blooded animals suffering from diarrhea, which method comprises the administration of particular 4-(aroylamino)piperidinebutanamide derivatives and compositions containing the same. Novel 4-(aroylamino)piperidinebutanamide derivatives.

  一种治疗患有腹泻的温血动物的方法，该方法包括给予特定的4-(芳酰氨基)哌啶丁酰胺衍生物和包含相同成分的制剂。新型的4-(芳酰氨基)哌啶丁酰胺衍生物。
• Hetero-substituted acetanilide derivatives as analgesic agents
  申请人：Carson R. John

  公开号：US20050182108A1

  公开（公告）日：2005-08-18

  Hetero-substituted acetanilide derivatives are disclosed as analgesic agents. The compounds of the invention are useful in methods for treating a disease or condition in a mammal characterized by pain and/or fever.

  杂取代乙酰苯胺衍生物被披露为镇痛剂。本发明的化合物在治疗哺乳动物中由疼痛和/或发热特征的疾病或症状的方法中是有用的。
• [EN] HETERO-SUBSTITUTED ACETANILIDE DERIVATES AS ANALGESIC AGENTS<br/>[FR] ANALGESIQUES A BASE DE DERIVES ACETANILIDES HETERO-SUBSTITUES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005084663A1

  公开（公告）日：2005-09-15

  Hetero-substituted acetanil¡de derivatives are disclosed as analgesic agents. The compounds of the invention are useful in methods for treating a disease or condition in a mammal characterized by pain and/or fever.

  杂取代乙酰苯胺衍生物被披露为镇痛剂。本发明的化合物在治疗哺乳动物中由疼痛和/或发热特征的疾病或症状的方法中是有用的。