3,4-二氢-2H-1,5-苯并二氧-7-胺 | 175136-34-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,4-二氢-2H-1,5-苯并二氧-7-胺
• 中文别名: 7-氨基-3,4-二氢-2H-1,5-苯并二氧杂环庚；3,4-二氢-2H-1,5-苯并二氧环丙-7-胺；3,4-二氢--1,5-苯并二氧-EPIN-7-胺；7-氨基-3,4-二氢-2H-1,5-苯并二氧杂卓；3,4-二氢-7-氨基-2H-苯并[1,4]二氧庚烷
• 英文名称: 3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-amine
• 英文别名: 3,4-dihydro-2H-1,5-benzodioxepin-7-amine；7-Amino-3,4-dihydro 2H-1,5-benzodioxepin
• CAS: 175136-34-2
• 化学式: C₉H₁₁NO₂
• mdl: MFCD00218806
• 分子量: 165.192
• InChiKey: FVLCICVRAPEYNX-UHFFFAOYSA-N

物化性质

• 熔点：
  81 °C
• 沸点：
  123-128°C/0.2mm
• 密度：
  1.193±0.06 g/cm3(Predicted)
• 闪点：
  123-128°C/0.2mm
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 海关编码：
  2932999099
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  保存方法：密封、阴凉、通风干燥处。

SDS

Name:	3 4-Dihydro-2H-1 5-benzodioxepin-7-amine 97% Material Safety Data Sheet
Synonym:	3,4-Trimethylenedioxyanilin
CAS:	175136-34-2

Section 1 - Chemical Product MSDS Name:3 4-Dihydro-2H-1 5-benzodioxepin-7-amine 97% Material Safety Data Sheet
Synonym:3,4-Trimethylenedioxyanilin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175136-34-2	3,4-Dihydro-2H-1,5-benzodioxepin-7-ami	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

---

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175136-34-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 76 - 78 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H11NO2
Molecular Weight: 165

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175136-34-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,4-Dihydro-2H-1,5-benzodioxepin-7-amine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 175136-34-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175136-34-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175136-34-2 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,4-二氢-2H-1,5-苯并二氧-7-胺 在 盐酸 、 tin(II) chloride dihdyrate 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 0.5h， 生成 3,4-dihydro-2H-1,5-benzodioxepin-7-ylhydrazine;hydrochloride
  参考文献：
  名称：

  ベンゾフロピラゾール誘導体

  摘要：

  【问题】提供具有HIF抑制活性的新物质。 【解决方案】化合物由下述通式(I)表示：〔其中，R1、R2、R3、和R4分别表示氢原子、甲氧基、乙氧基、羟基、N-吗啡基脲基或N-(4-氨基苯基)脲基，或相邻的基团结合形成亚烷基氧基；R5、R6、R7、R8、和R9分别表示氢原子、甲氧基、羟基、甲氧羰基、羧基、异丙基或异丁氧基，或相邻的基团结合形成亚烷基氧基〕。 【选定图】无。

  公开号：

  JP2016210687A
• 作为产物：
  描述：

  4-硝基儿茶酚 在 铁粉 、 potassium carbonate 、 氯化铵 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 3,4-二氢-2H-1,5-苯并二氧-7-胺
  参考文献：
  名称：

  预防和治疗慢性疼痛药物的胍类化合物

  摘要：

  本发明涉及通式(Ⅰ)所示的涉及作为防治慢性疼痛疾病的胍类化合物、其药学上可接受的盐、其前体药物、其溶剂化物、氘代物或其立体异构体，其中R1、R2、R3、R4、R5、Ar1、Ar2、p和q的定义同说明书中所述定义；本发明还涉及所述化合物的制备方法，含有所述化合物的药物组合物和药物制剂，以及所述化合物在用于预防或治疗哺乳动物治疗带状疱疹疼，三叉神经疼，偏头痛等神经病理性疼痛，胰腺炎，关节炎疼等在内的急慢性炎性疼痛等疼痛症状和疼痛引起的及其他因素引起的睡眠失调等疾病的药物中的应用。

  公开号：

  CN111548313A

文献信息

• SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS
  申请人：GLAXOSMITHKLINE LLC

  公开号：US20150152108A1

  公开（公告）日：2015-06-04

  The present invention relates to novel substituted bridged urea compounds, corresponding related analogs, pharmaceutical compositions and methods of use thereof. Sirtuin-modulating compounds of the present invention may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. The present invention also related to compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本发明涉及新型取代桥式脲化合物，相应的相关类似物，药物组合物以及其使用方法。本发明的抑制素调节化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和疾病，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块疾病、炎症、癌症和/或潮红有关的疾病或疾病，以及那些会受益于增加线粒体活性的疾病或疾病。本发明还涉及包含抑制素调节化合物与另一治疗剂组合的组合物。
• [EN] SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS<br/>[FR] ANALOGUES D'URÉE PONTÉS SUBSTITUÉS EN TANT QUE MODULATEURS DE SIRTUINE
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2016079709A1

  公开（公告）日：2016-05-26

  The present invention relates to novel substituted bridged urea analog compounds of Formula (I) or pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions, processes for making and use of such compounds, alone or in combination with other therapeutic agents, as Sirtuin Modulators useful for increasing lifespan of a cell, and for use in treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity.

  本发明涉及一种新型的取代桥式脲类似物化合物，其化学式为（I）或其药学上可接受的盐，相应的药物组合物，制备这种化合物的方法以及单独使用或与其他治疗剂联合使用的这些化合物作为Sirtuin调节剂，可用于增加细胞寿命，并用于治疗和/或预防各种疾病和紊乱，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块紊乱、炎症、癌症和/或潮红有关的疾病或紊乱，以及那些会受益于增加线粒体活性的疾病或紊乱。
• Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins
  申请人：Kroth Heiko

  公开号：US20110280808A1

  公开（公告）日：2011-11-17

  The present invention relates to novel compounds that can be employed in the treatment of a group of disorders and abnormalities associated with amyloid protein, such as Alzheimer's disease, and of diseases or conditions associated with amyloid-like proteins. The compounds of the present invention can also be used in the treatment of ocular diseases associated with pathological abnormalities/changes in the tissues of the visual system. The present invention further relates to pharmaceutical compositions comprising these compounds and to the use of these compounds for the preparation of medicaments for treating or preventing diseases or conditions associated with amyloid and/or amyloid-like proteins. A method of treating or preventing diseases or conditions associated with amyloid and/or amyloid-like proteins is also disclosed.

  本发明涉及一种新型化合物，可用于治疗与淀粉样蛋白相关的一组疾病和异常，如阿尔茨海默病，以及与淀粉样蛋白类似蛋白相关的疾病或病况。本发明的化合物还可用于治疗与视觉系统组织中的病理异常/变化相关的眼部疾病。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物制备用于治疗或预防与淀粉样和/或淀粉样类似蛋白相关的疾病或病况的药物的用途。还公开了一种治疗或预防与淀粉样和/或淀粉样类似蛋白相关的疾病或病况的方法。
• [EN] NOVEL ULK1 INHIBITORS AND METHODS USING SAME<br/>[FR] NOUVEAUX INHIBITEURS D'ULK 1 ET LEURS MÉTHODES D'UTILISATION
  申请人：SALK INST FOR BIOLOGICAL STUDI

  公开号：WO2016033100A1

  公开（公告）日：2016-03-03

  In certain aspects, the invention provides a method for treating a disease or condition in a subject, the method comprising co-administering to a subject in need thereof a therapeutically effective amount of at least one ULK1-inhibiting pyrimidine, and a therapeutically effective amount of an mTOR inhibitor.

  在某些方面，该发明提供了一种治疗受试者疾病或病况的方法，该方法包括向需要的受试者联合给予至少一种ULK1抑制嘧啶的治疗有效量，以及mTOR抑制剂的治疗有效量。
• Aryl aniline beta2 adrenergic receptor agonists
  申请人：——

  公开号：US20030229058A1

  公开（公告）日：2003-12-11

  The invention provides novel &bgr; 2 adrenergic receptor agonist compounds of formula (I): 1 wherein R 1 -R 13 and w have any of the values described in the specification. The invention also provides combinations of such compounds and other therapeutic agents, pharmaceutical compositions comprising such compounds and combinations, methods of using such compounds to treat diseases associated with &bgr; 2 adrenergic receptor activity, and processes and intermediates useful for preparing such compounds.

  这项发明提供了式（I）的新型β2肾上腺素受体激动剂化合物： 其中R1-R13和w具有规范中描述的任何值。该发明还提供了这些化合物与其他治疗剂的组合，包含这些化合物和组合物的药物组合物，使用这些化合物治疗与β2肾上腺素受体活性相关的疾病的方法，以及用于制备这些化合物的有用的过程和中间体。