4-(3-氨丙基)硫代吗啉-1,1-二氧化物 | 90000-25-2

• 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-氨丙基)硫代吗啉-1,1-二氧化物
• 中文别名: 3-(1,1-二氧代硫代吗啉)丙胺；4-(3-氨基丙基)硫代吗啉1,1-二氧化物；4-(3-氨丙基)硫代吗啉1,1-二氧化物
• 英文名称: 4-(3-aminopropyl)thiomorpholine 1,1-dioxide
• 英文别名: 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
• CAS: 90000-25-2
• 化学式: C₇H₁₆N₂O₂S
• mdl: MFCD03840683
• 分子量: 192.282
• InChiKey: FSRMWCVZAUEPEQ-UHFFFAOYSA-N

物化性质

• 熔点：
  0°C
• 沸点：
  0°C
• 密度：
  1.188±0.06 g/cm3(Predicted)
• 闪点：
  0°C

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 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：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn,Xi
• WGK Germany：
  3
• RTECS号：
  XZ3012000
• 海关编码：
  2934999090
• 安全说明：
  S26,S36
• 危险类别码：
  R22,R36/37/38

SDS

4-(3-Aminopropyl)thiomorpholine 1,1-Dioxide
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 4-(3-Aminopropyl)thiomorpholine 1,1-Dioxide

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
No signal word
Signal word
Hazard statements None
None
Precautionary statements:

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 4-(3-Aminopropyl)thiomorpholine 1,1-Dioxide
Percent: >98.0%(GC)(T)
CAS Number: 90000-25-2
Synonyms: 3-(1,1-Dioxothiomorpholino)propylamine
Chemical Formula: C7H16N2O2S

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.

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Section 5. FIRE-FIGHTING MEASURES
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store under inert gas.
Protect from moisture.
Store away from incompatible materials such as oxidizing agents.
Hygroscopic
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Lump
Form:
Colour: White - Very pale yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:31°C (Freezing point)
Boiling point/range: 190°C/0.1kPa
No data available
Flash point:
Flammability or explosive
limits:
Lower: No data available
No data available
Upper:
Relative density: No data available
Solubility(ies):
[Water] No data available

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulfur oxides
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a 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 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(3-氨丙基)硫代吗啉-1,1-二氧化物 在 4-二甲氨基吡啶 、 溶剂黄146 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 64.0h， 生成 (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((N-(3-(1,1-dioxidothiomorpholino)propyl)acetamido)methyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)-1-(fluoromethyl)cyclohex-3-enecarboxylic acid
  参考文献：
  名称：

  [EN] TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY, SUBSTITUTED IN POSITION 3 BY A NON-AROMATIC RING CARRYING A HALOALKYL SUBSTITUENT
  [FR] TRITERPÉNOÏDES PRÉSENTANT UNE ACTIVITÉ D'INHIBITION DE LA MATURATION DU VIH, SUBSTITUÉS EN 3ÈME POSITION PAR UN CYCLE NON AROMATIQUE PORTANT UN SUBSTITUANT HALOGÉNOALKYLE

  摘要：

  具有药物和生物活性的化合物、其药物组合物及其用途被详细阐述。特别是，提供了一种具有独特抗病毒活性的三萜类化合物，作为HIV成熟抑制剂，由公式I的化合物表示：其中X选自C4-8环烷基、C4-8环烯基、C4-9螺环烷基、C4-9螺环烯基、C4-8氧环烷基、C4-8二氧环烷基、C6-8氧环烯基、C6-8二氧环烯基、C6二烯基、C6氧二烯基、C6-9氧螺环烷基和C6-9氧螺环烯基环，使得X被A取代，其中A是- C1-6烷基-卤素。这些化合物用于治疗HIV和艾滋病。

  公开号：

  WO2015157483A1
• 作为产物：
  描述：

  2-[3-(1,1-dioxothiomorpholin-4-yl)propyl]isoindole-1,3-dione 、 一水合肼 以 乙醇 为溶剂， 以to give the captioned compound (4.6 g, 86%) as an oily product的产率得到4-(3-氨丙基)硫代吗啉-1,1-二氧化物
  参考文献：
  名称：

  Cinnamic Acid Amide Derivative

  摘要：

  本发明提供一种具有出色镇痛作用的肉桂酸酰胺衍生物。本发明的肉桂酸酰胺衍生物是一种化合物，不仅对伤害性疼痛模型动物，而且对神经病理性疼痛模型动物显示出出色的镇痛作用，非常适用于治疗各种急性或慢性疼痛或神经病理性疼痛的药剂。

  公开号：

  US20150322024A1

文献信息

• [EN] AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] DÉRIVÉS D'AZADÉCALINE EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK (NO 5) LTD

  公开号：WO2018002848A1

  公开（公告）日：2018-01-04

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, azadecaline derivatives that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formula (I). These compounds are useful for the treatment of HIV and AIDS.

  具有药物和生物影响特性的化合物，其药物组合物和使用方法已列出。具体来说，提供了具有独特抗病毒活性的阿扎德卡林衍生物，作为HIV成熟抑制剂，如化合物(I)的公式所代表的那样。这些化合物对于治疗HIV和艾滋病是有用的。
• [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] C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS<br/>[FR] AMIDES C-28 DE DÉRIVÉS D'ACIDE BÉTULINIQUE MODIFIÉS EN C-3, UTILISÉS COMME INHIBITEURS DE MATURATION DU VIH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011153319A1

  公开（公告）日：2011-12-08

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, modified C-3 and C-28 betulinic acid derivatives that possess unique antiviral activity are provided as HIV maturation inhibitors. These compounds are useful for the treatment of HIV and AIDS.

  具有药物和生物活性的化合物、其药物组合物及其使用方法。特别是，提供了一种具有独特抗病毒活性的改性C-3和C-28桦木酸衍生物，用作HIV成熟抑制剂。这些化合物可用于治疗HIV和艾滋病。
• [EN] OXOLUPENE DERIVATIVES<br/>[FR] DÉRIVÉS D'OXOLUPÈNE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2016077561A1

  公开（公告）日：2016-05-19

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, betulinic acid derivatives that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I and II. These compounds are useful for the treatment of HIV and AIDS.

  具有药物和生物活性的化合物、其药物组合物及其用途被详细说明。特别是，提供了具有独特抗病毒活性的白桦酸衍生物，作为HIV成熟抑制剂，由公式I和II所示的化合物代表。这些化合物可用于治疗HIV和艾滋病。
• [EN] BETULINIC ACID DERIVATIVES WITH HIV MATURATION INHIBITORY ACTIVITY<br/>[FR] DÉRIVÉS D'ACIDE BÉTULINIQUE PRÉSENTANT UNE ACTIVITÉ INHIBITRICE DE MATURATION DU VIH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015195776A1

  公开（公告）日：2015-12-23

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, betulinic acid derivaties that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I, II and III: [Please insert chemical structure here]; [Please insert chemical structure here]; [Please insert chemical structure here]; These compounds are useful for the treatment of HIV and AIDS.

  具有药物和生物活性的化合物、其药物组合物及其用途被详细说明。特别是，提供了具有独特抗病毒活性的白桦酸衍生物，作为HIV成熟抑制剂，由公式I、II和III所示的化合物代表：[请在此处插入化学结构]; [请在此处插入化学结构]; [请在此处插入化学结构]; 这些化合物用于治疗HIV和艾滋病。