4-(3-羟丙基)硫代吗啉 1,1-二氧化物 | 205194-33-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 中文名称: 4-(3-羟丙基)硫代吗啉 1,1-二氧化物
• 中文别名: 4-(3-羟丙基)硫代吗啉1,1-二氧化硫；4-(3-羟丙基)硫代吗啉1,1-二氧化物；3-(1,1-二氧硫代吗啉)丙醇
• 英文名称: 3-(1,1-dioxothiomorpholino)-1-propanol
• 英文别名: 4-(3-hydroxypropyl)thiomorpholine-1,1-dioxide；4-(3-hydroxypropyl)thiomorpholin-1,1-dione；3-(1,1-dioxothiomorpholino)propan-1-ol；N-(3-hydroxypropyl)-1,1-dioxotetrahydro-4H-1,4-thiazine；3-(1,1-dioxotetrahydro-4H-1,4-thiazin-4-yl)propan-1-ol；3-(1,1-dioxotetrahydro-4H-1,4-thiazin-4yl)propan-1-ol；4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide；3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
• CAS: 205194-33-8
• 化学式: C₇H₁₅NO₃S
• 分子量: 193.267
• InChiKey: VAJSFWFPXNWBLF-UHFFFAOYSA-N

物化性质

• 熔点：
  70.0 to 74.0 °C
• 溶解度：
  溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 储存条件：
  存放于惰性气体中，避免与空气接触。

SDS

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Section I.Chemical Product and Company Identification
Chemical Name 4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide
Portland OR
4-Thiomorpholinepropanol, 1,1-dioxide (9CI)
Synonym
C7H15NO3S
Chemical Formula
CAS Number 205194-33-8

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide 205194-33-8 Min. 98.0 Not available. Not available.
(GC)

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Section III. Hazards Identification
Acute Health Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Chronic Health Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin Contact In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
Inhalation If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Ingestion
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
toxic material was ingested; the absence of such signs, however, is not conclusive.

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Section V. Fire and Explosion Data
Not available.
Flammability May be combustible at high temperature. Auto-Ignition
Flash Points Flammable Limits Not available.
Not available.
Combustion Products These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2), sulfur oxides (SOx).
Fire Hazards
Not available.
Explosion Hazards Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide

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Section VI. Accidental Release Measures
Spill Cleanup Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
Instructions
disposal.

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Section VII. Handling and Storage
Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
Handling and Storage
place. Avoid excessive heat and light. Do not breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult
a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Solid. (Light Reddish Yellow Crystalline Solubility
Physical state @ 20°C Soluble in Methanol.
Powder and Small Lumps.)
Not available.
Specific Gravity
Molecular Weight 193.26 Partition Coefficient
Not available.
Boiling Point Not available. Vapor Pressure Not applicable.
73°C (163.4°F) Not available.
Melting Point Vapor Density
Refractive Index Not available. Volatility Not available.
Critical Temperature Not available. Odor Not available.
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

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Section XI. Toxicological Information
RTECS Number Not available.
Eye Contact. Ingestion. Inhalation.
Routes of Exposure
Toxicity Data Not available.
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Continued on Next Page
4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide

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Section XII. Ecological Information
Ecotoxicity Not available.
Not available.
Environmental Fate

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Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
Not applicable.
PIN Number
Proper Shipping Name
Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification Not controlled under WHMIS (Canada).
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements Not available.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(3-羟丙基)硫代吗啉 1,1-二氧化物 、 4-氯-7-羟基-6-甲氧基喹啉-3-甲腈 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 4-chloro-3-cyano-7-[3-(1,1-dioxotetrahydro-4H-thiazin-4-yl)propoxy]-6-methoxyquinoline
  参考文献：
  名称：

  [EN] SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS
  [FR] 3-CYANOQUINOLEINES SUBSTITUEES UTILISEES COMME INHIBITEURS DE MEK

  摘要：

  这项发明涉及式（I）的喹啉衍生物，其中Z1、m、R1、n、R3、Z2和R14中的每一个具有在描述中先前定义的任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用作抗侵袭或抗增殖剂的药物的用途中，用于包含和/或治疗实体肿瘤疾病。

  公开号：

  WO2004005284A1
• 作为产物：
  描述：

  二乙烯基砜 、 3-氨基-1-丙醇 在 methanol-dichloromethane 作用下， 反应 0.75h， 以to give 3-(1,1-dioxothiomorpholino)-1-propanol (800 mg, 90%)的产率得到4-(3-羟丙基)硫代吗啉 1,1-二氧化物
  参考文献：
  名称：

  Quinazoline derivatives and pharmaceutical compositions containing them

  摘要：

  本发明涉及式（I）的喹唑啉衍生物，其中m是1至2的整数；R1代表氢、羟基、卤素、硝基、三氟甲基、氰基、C1-13烷基、C1-3烷氧基、C1-3烷基硫基，或—NR5R6（其中R5和R6，可以相同也可以不同，分别代表氢或C1-3烷基）；R2代表氢、羟基、卤素、甲氧基、氨基或硝基；R3代表羟基、卤素、C1-3烷基、C1-3烷氧基、C1-3烷酰氧基、三氟甲基、氰基、氨基或硝基；X1代表—O—、—CH2—、—S—、—SO—、—SO2—、—NR7CO—、—CONR8—、—SO2NR9—、—NR10SO2—或—NR11—（其中R7、R8、R9、R10和R11各自独立地代表氢、C1-3烷基或C1-3烷氧基C2-3烷基）；R4代表一个可选取代的5或6成员饱和碳环或杂环基团或烯基、炔基或可选取代的烷基，其中烷基基团可以包含一个杂原子连接基团，烯基、炔基或烷基基团可以携带一个末端可选取代的基团，所述基团选自烷基和一个5或6成员饱和碳环或杂环基团，以及其盐；制备它们的方法，含有式（I）的化合物或其药学上可接受的盐作为活性成分的制药组合物。式（I）的化合物和药学上可接受的盐抑制VEGF的作用，这是治疗包括癌症和类风湿性关节炎在内的多种疾病状态的有价值的特性。

  公开号：

  US20020173646A1

文献信息

• PROTEIN KINASE INHIBITORS
  申请人：Sheppard S. George

  公开号：US20070203143A1

  公开（公告）日：2007-08-30

  Compounds that inhibit protein kinases, compositions containing the compounds and methods of treating diseases using the compounds are disclosed.

  抑制蛋白激酶的化合物、含有这些化合物的组合物以及利用这些化合物治疗疾病的方法被披露。
• [EN] QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER<br/>[FR] DERIVES DE QUINAZOLINE A UTILISER CONTRE LE CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2006040526A1

  公开（公告）日：2006-04-20

  The invention concerns quinazoline derivatives of Formula (I) or a pharmaceutically-acceptable salt, solvate or pro-drug thereof, wherein each of p, R1, q, R2, R3, R4, R5, Ring A, X1, R6, r and R7 has any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

  本发明涉及式(I)喹唑啉衍生物或其药物可接受的盐、溶剂化物或前药，其中p、R1、q、R2、R3、R4、R5、环A、X1、R6、r和R7各自具有说明书中定义的任何含义；其制备方法、含有它们的药物组合物以及它们在制造用于治疗细胞增殖障碍或治疗与血管生成和/或血管通透性相关的疾病状态的药物中的应用。
• [EN] QUINAZOLINE DERIVATIVES<br/>[FR] DERIVES DE QUINAZOLINE
  申请人：ASTRAZENECA AB

  公开号：WO2006040520A1

  公开（公告）日：2006-04-20

  The invention concerns quinazoline derivatives of Formula (I) or a pharmaceutically-acceptable salt, solvate or pro-drug thereof, wherein each of X1, p, R1, q, R2, R3, R4, R5, Ring A, r and R6 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

  这项发明涉及式(I)的喹唑啉衍生物或其药用盐、溶剂化合物或前药，其中X1、p、R1、q、R2、R3、R4、R5、环A、r和R6中的每一个在描述中已定义的含义中具有任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用于治疗细胞增殖紊乱或与血管生成和/或血管通透性相关的疾病状态的药物的用途。
• QUINOLINE DERIVATIVES
  申请人：Jung Frederic Henri

  公开号：US20090076075A1

  公开（公告）日：2009-03-19

  The invention concerns quinoline derivatives of Formula I or a pharmaceutically-acceptable salt thereof, wherein each of X 1 , p, R 1 , q, R 2 , R 3 , R 4 , R 5 Ring A, r and R 6 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.

  这项发明涉及公式I的喹啉衍生物或其药用盐，其中X 1 ，p，R 1 ，q，R 2 ，R 3 ，R 4 ，R 5 ，环A，r和R 6 中的每一个具有在描述中定义的任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用于治疗细胞增殖紊乱的药物的药物中的使用。
• [EN] QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER<br/>[FR] DERIVES DE QUINAZOLINE UTILISES DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2004004732A1

  公开（公告）日：2004-01-15

  The invention concerns quinazoline derivatives of Formula (I) wherein each of Z, m, R1, n, R3,Z2 and R14 have any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an anti-invasive or anti-proliferative agent in the containment and/or treatment of solid tumour disease.

  这项发明涉及式（I）的喹唑啉衍生物，其中Z、m、R1、n、R3、Z2和R14中的每一个具有在描述中先前定义的任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用作抗侵袭或抗增殖剂的药物时在固体肿瘤疾病的控制和/或治疗中的用途。