2,3-二氢咪唑并[2,1-b]并苯并-6-胺 | 78291-99-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 2,3-二氢咪唑并[2,1-b]并苯并-6-胺
• 中文别名: 2,3-二氢咪唑[2,1-B]苯并噻唑-6-胺
• 英文名称: 335984-DIDO
• 英文别名: AC 12308；2,3-dihydroimidazo[2,1-b]benzothiazol-6-amine；1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
• CAS: 78291-99-3
• 化学式: C₉H₉N₃S
• mdl: MFCD00044717
• 分子量: 191.257
• InChiKey: HJCGGAYYNMECPO-UHFFFAOYSA-N

物化性质

• 沸点：
  430.6±47.0 °C(Predicted)
• 密度：
  1.61±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S24/25
• 海关编码：
  2934100090

SDS

Name:	2 3-Dihydroimidazo(2 1-b)Benzothiazol-6- Amine 90% (Titr.) Material Safety Data Sheet
Synonym:
CAS:	78291-99-3

Section 1 - Chemical Product MSDS Name:2 3-Dihydroimidazo(2 1-b)Benzothiazol-6- Amine 90% (Titr.) Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
78291-99-3	2,3-Dihydroimidazo[2,1-b]Benzothiazol-	90	278-892-8

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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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 agent most appropriate to extinguish fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 78291-99-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Crystalline powder
Color: light beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 201.00 - 204.00 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: C9H9N3S
Molecular Weight: 191.25

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 78291-99-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dihydroimidazo[2,1-b]Benzothiazol-6-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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 78291-99-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 78291-99-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 78291-99-3 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：

  2,3-二氢咪唑并[2,1-b]并苯并-6-胺 在 sodium borohydrid 、 三氟乙酸 作用下， 以 ice-water 、 氯仿 为溶剂， 生成 2,3-dihydro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b]benzothiazol-6-amine
  参考文献：
  名称：

  2,3-Dihydro-imidazo[2,1-b]benzothiazole compositions to treat depressions

  摘要：

  这项发明涉及一种新颖的显示单胺氧化酶抑制活性的2,3-二氢咪唑并[2,1-b]苯并噻唑类化合物系列。

  公开号：

  US04262004A1
• 作为产物：
  描述：

  6-硝基-2,3-二氢咪唑并[2,1-b][1,3]苯并噻唑 在 钯 作用下， 以 甲醇 为溶剂， 生成 2,3-dihydroimidazo[2,1-b]benzothiazol-7-amine 、 2,3-二氢咪唑并[2,1-b]并苯并-6-胺
  参考文献：
  名称：

  2,3-Dihydro-imidazo[2,1-b]benzothiazole compositions to treat depressions

  摘要：

  这项发明涉及一种新颖的显示单胺氧化酶抑制活性的2,3-二氢咪唑并[2,1-b]苯并噻唑类化合物系列。

  公开号：

  US04262004A1

文献信息

• Synthesis, activity, and pharmacokinetic properties of a series of conformationally-restricted thiourea analogs as novel hepatitis C virus inhibitors
  作者：Iou-Jiun Kang、Li-Wen Wang、Teng-Kuang Yeh、Chung-Chi Lee、Yen-Chun Lee、Sheng-Ju Hsu、Yen-Shian Wu、Jing-Chyi Wang、Yu-Sheng Chao、Andrew Yueh、Jyh-Haur Chern

  DOI：10.1016/j.bmc.2010.07.002

  日期：2010.9

  evaluated for their anti-HCV activity. Herein we report the synthesis, structure–activity relationships (SARs), and pharmacokinetic properties of this new class of thiourea compounds that showed potent inhibitory activities against HCV in the cell-based subgenomic HCV replicon assay. Among compounds tested, the fluorene compound 4b was found to possess the most potent activity (EC50 = 0.3 μM), lower cytotoxicity

  设计，合成并评估了一系列新颖的构象限制的硫脲类似物的抗HCV活性。在这里，我们报告了这种新型的硫脲化合物的合成，结构-活性关系（SAR）和药代动力学特性，这些硫脲化合物在基于细胞的亚基因组HCV复制子测定中显示出对HCV的有效抑制活性。 与相应的芴酮化合物4c相比，在所测试的化合物中，发现芴化合物4b具有最强的活性（EC 50  = 0.3μM），较低的细胞毒性（CC 50 > 50μM）和显着更好的药代动力学特性。
• Substituted N-imidazo(2, 1-b) thiazole-5-sulfonamide derivatives as 5-TH6 ligands
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2116547A1

  公开（公告）日：2009-11-11

  The invention relates to compounds (I) having pharmacological activity towards the 5-HT6 receptor, and more particularly to some N-imidazo[2,1-b]thiazole-5-sulfonamide derivatives, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use for the treatment and or prophylaxis of a disease in which 5-HT6 is involved.

  该发明涉及具有对5-HT6受体具有药理活性的化合物(I)，更具体地涉及一些N-咪唑[2,1-b]噻唑酮-5-磺酰胺衍生物，以及制备这些化合物的方法，包括含有它们的药物组合物，以及它们用于治疗和/或预防涉及5-HT6的疾病。
• 2,3-Dihydro-imidazo[2,1-b]benzothiazoles
  申请人：Janssen Pharmaceutica, N.V.

  公开号：US04340738A1

  公开（公告）日：1982-07-20

  This invention relates to a novel series of 2,3-dihydroimidazo[2,1-b]benzothiazoles which display monoamine oxidase inhibiting activities.

  本发明涉及一种新颖的2,3-二氢咪唑[2,1-b]苯并噻唑系列化合物，具有单胺氧化酶抑制活性。
• Pyrazole-amides and -sulfonamides
  申请人：Atkinson N. Robert

  公开号：US20050049237A1

  公开（公告）日：2005-03-03

  Compounds, compositions and methods are provided which are useful in the treatment of diseases through the inhibition of sodium ion flux through voltage-dependent sodium channels. More particularly, the invention provides pyrazole-amides and -sulfonamides, compositions and methods that are useful in the treatment of central or peripheral nervous system disorders, particularly pain and chronic pain by blocking sodium channels associated with the onset or recurrance of the indicated conditions. The compounds, compositions and methods of the present invention are of particular use for treating neuropathic or inflammatory pain by the inhibition of ion flux through a channel that includes a PN3 subunit.

  本发明提供了一种通过抑制电压依赖性钠通道中的钠离子流来治疗疾病的化合物、组合物和方法。更具体地，本发明提供了吡唑酰胺和磺酰胺，以及其组合物和方法，这些化合物、组合物和方法对于治疗中枢或外周神经系统疾病特别是疼痛和慢性疼痛非常有用，通过阻止与所述疾病的发作或复发有关的钠通道。本发明的化合物、组合物和方法特别适用于通过抑制包括PN3亚基的通道中的离子流来治疗神经病理性或炎性疼痛。
• 2,3-Dihydro-imidazo (2,1-b)benzothiazoles compositions useful as
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04364942A1

  公开（公告）日：1982-12-21

  This invention relates to a novel series of 2,3-dihydro-imidazo[2,1-b]benzothiazoles which display monoamine oxidase inhibiting activities.

  本发明涉及一种新颖的2,3-二氢咪唑[2,1-b]苯并噻唑系列化合物，其具有单胺氧化酶抑制活性。