3,4-二氢-2H-1,5-苯并二氧化-7-磺酰氯 | 321309-38-0

• 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-苯并二氧化-7-磺酰氯
• 中文别名: 3,4-二氢-2H-1,5-苯并二噁英-7-磺酰氯
• 英文名称: 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride
• 英文别名: 3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-sulfonyl chloride；3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonyl chloride
• CAS: 321309-38-0
• 化学式: C₉H₉ClO₄S
• mdl: MFCD02681959
• 分子量: 248.687
• InChiKey: ADAGPISZFDLGCR-UHFFFAOYSA-N

物化性质

• 沸点：
  158-160°C 0,1mm
• 密度：
  1.439±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2932999099
• 危险品运输编号：
  UN 3261

SDS

Name:	3 4-Dihydro-2H-1 5-benzodioxepine-7-sulfonyl chloride 97% Material Safety Data Sheet
Synonym:
CAS:	321309-38-0

Section 1 - Chemical Product MSDS Name:3 4-Dihydro-2H-1 5-benzodioxepine-7-sulfonyl chloride 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
321309-38-0	3,4-Dihydro-2H-1,5-benzodioxepine-7-su	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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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 foam, dry chemical, or carbon dioxide.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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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# 321309-38-0: 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: off-white
Odor: odorless - slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 158 - 160 deg C @0.1mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H9ClO4S
Molecular Weight: 249

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases, alcohols, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 321309-38-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 321309-38-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 321309-38-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 321309-38-0 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-苯并二氧化-7-磺酰氯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 以17%的产率得到1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-methoxy-1H-indol-4-yl]-N,N-dimethylmethanamine
  参考文献：
  名称：

  WO2008/3703

  摘要：

  公开号：
• 作为产物：
  描述：

  3,4-二氢-2H-1,5-苯并二氧环庚烷 在 氯磺酸 作用下， 反应 0.5h， 以18%的产率得到3,4-二氢-2H-1,5-苯并二氧化-7-磺酰氯
  参考文献：
  名称：

  Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease

  摘要：

  本文披露了如下所述的Formula VII的磺胺类化合物。本文还披露了用于治疗疾病状态的方法和组合物，包括但不限于癌症、自身免疫疾病、组织损伤、中枢神经系统疾病、神经退行性疾病、纤维化、骨疾病、多聚谷氨酰胺重复疾病、贫血、地中海贫血、炎症症状、心血管疾病以及血管生成在发病机制中起作用的疾病，使用本发明的化合物。此外，还披露了调节组蛋白去乙酰化酶（HDAC）活性的方法。

  公开号：

  US20070027184A1

文献信息

• [EN] CONDENSED HETEROCYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES CONDENSÉS AYANT UNE AFFINITÉ POUR LE RÉCEPTEUR 5-HT6
  申请人：MEMORY PHARM CORP

  公开号：WO2010021797A1

  公开（公告）日：2010-02-25

  The present disclosure provides compounds having affinity for the 5-HT6 receptor which are of the formula (I) wherein R1, A, B, D, E, G, Q, Ar, n, m, and p are as defined herein. The disclosure also relates to methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.

  本公开提供了具有亲和力的化合物，其对5-HT6受体具有亲和力，其化学式为（I），其中R1、A、B、D、E、G、Q、Ar、n、m和p如本文所定义。该公开还涉及制备这种化合物的方法、含有这种化合物的组合物以及使用方法。
• Thrombin inhibitors. 2. Amide derivatives of N.alpha.-substituted L-arginine
  作者：Ryoji Kikumoto、Yoshikuni Tamao、Kazuo Ohkubo、Tohru Tezuka、Shinji Tonomura、Shosuke Okamoto、Yoshinori Funahara、Akiko Hijikata

  DOI：10.1021/jm00182a004

  日期：1980.8

  with tetralin or an oxygen-containing heterocyclic compound as a N alpha-substituent showed an inhibition with an I50 less than 10(-5) M. N-Monosubstituted derivatives of N alpha-dansyl-L-arginine amide were not hydrolyzed at all by thrombin and were hydrolyzed very slowly by trypsin, and N,N-disubstituted derivatives were not hydrolyzed at all by both enzymes.

  制备了一系列具有取代或未取代的萘和杂环化合物作为Nα取代基的Nα-（芳基磺酰基）-L-精氨酸酰胺衍生物，并测试了它们作为凝血酶凝血活性的抑制剂。Nα-丹磺酰基-L-精氨酸酰胺的Nn-丁基和Nn-丁基-N-甲基衍生物对Nα-丹磺酰基-L-精氨酸酰胺的N-烷基和N，N-二烷基衍生物的抑制作用最大。它们的抑制作用与I50为2 X 10（-6）M的Nα-丹磺酰基-L-精氨酸-正丁酯的抑制作用一样。Nα-取代的4-甲基萘他磺酰基-L-精氨酸酰胺衍生物-和4-乙基哌啶也显示出有效的抑制作用，I50为10（-7）至10（-6）M。在该研究中，最有效的抑制作用是1- [Nα-（4,6-二甲氧基萘-2-磺酰基]-精氨酰基] -4-甲基哌啶，I50为7。
• [EN] SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION<br/>[FR] PETITES MOLÉCULES DIRIGÉES CONTRE LE CÉRÉBLON POUR AMÉLIORER LA FONCTION DES LYMPHOCYTES T EFFECTEURS
  申请人：H LEE MOFFITT CANCER CENTER & RES INST INC

  公开号：WO2017161119A1

  公开（公告）日：2017-09-21

  Disclosed are small molecules against cereblon to enhance effector T cell function. Methodos of making thes molecules and methods of using them to treat various disease states are also disclosed.

  披露了针对小脑蛋白以增强效应T细胞功能的小分子。还披露了制造这些分子的方法以及使用它们治疗各种疾病状态的方法。
• [EN] BENZODIOXEPINE AND BENZODIOXINE COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES<br/>[FR] BENZODIOXÉPINE ET COMPOSÉS DE BENZODIOXINE QUI INTERAGISSENT AVEC LA PROTÉINE RÉGULATRICE DE LA GLUCOKINASE POUR LE TRAITEMENT DU DIABÈTE
  申请人：AMGEN INC

  公开号：WO2012138776A1

  公开（公告）日：2012-10-11

  The present invention relates to compounds of formula I or II, or pharmaceutically acceptable salts thereof, that interact with glucokinase regulatory protein. In addition, the present invention relates to methods of treating type 2 diabetes, and other diseases and/or conditions where glucokinase regulatory protein is involved using the compounds, or pharmaceutically acceptable salts thereof, and pharmaceutical compositions that contain the compounds, or pharmaceutically acceptable salts thereof.

  本发明涉及与葡萄糖激酶调节蛋白相互作用的式I或II的化合物，或其药学上可接受的盐。此外，本发明涉及使用这些化合物或其药学上可接受的盐治疗2型糖尿病和其他涉及葡萄糖激酶调节蛋白的疾病和/或症状的方法，以及含有这些化合物或其药学上可接受的盐的药物组合物。
• A Sulfonamide Sialoside Analogue for Targeting Siglec-8 and -F on Immune Cells
  作者：Corwin M. Nycholat、Shiteng Duan、Eva Knuplez、Charli Worth、Mila Elich、Anzhi Yao、Jeremy O’Sullivan、Ryan McBride、Yadong Wei、Steve M. Fernandes、Zhou Zhu、Ronald L. Schnaar、Bruce S. Bochner、James C. Paulson

  DOI：10.1021/jacs.9b05769

  日期：2019.9.11

  im-munoglobulin-like cell surface receptors have emerged as attractive targets for cell directed therapies due to their restricted expression on immune cells, endocytic properties and ability to modulate receptor signaling. Human Siglec-8, for instance has been identified as a therapeutic target for the treatment of eosinophil and mast cell disorders. A promising strategy to target Sig-lecs involves the

  Siglec 家族的唾液酸结合免疫球蛋白样细胞表面受体已成为细胞定向治疗的有吸引力的靶点，因为它们在免疫细胞上的表达受限、内吞特性和调节受体信号的能力。例如，人类 Siglec-8 已被确定为治疗嗜酸性粒细胞和肥大细胞疾病的治疗靶点。靶向 Sig-lecs 的一个有前景的策略涉及使用具有多价展示 Siglec 配体的脂质体纳米颗粒。这种方法的一个关键挑战是识别目标 Siglec 的高亲和力配体。在这里，我们报告了 Siglec-8 的高亲和力配体及其最接近的鼠功能直向同源物 Siglec-F 的开发，它能够将脂质体靶向表达 Siglec-8 或 -F 的细胞。筛选了 156 个合成的 9-N-磺酰基唾液酸类似物的聚糖微阵列库，以识别潜在的先导化合物。最佳配体，9-N-(2-萘基磺酰基)-Neu5Acα2-3-[6-O-磺基]-Galβ1-4GlcNAc(6'-O-磺基NSANeu5Ac)结