4-(4’-氨基苄基)硫代吗啉 1,1-二氧化物 | 263339-24-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(4’-氨基苄基)硫代吗啉 1,1-二氧化物
• 中文别名: 4-(4-氨基苄基）-4-噻嗪烷-1,1-二酮；4-(4-氨基苄基)-1LAMBDA6,4-]噻嗪-1,1-二酮；4-(4’-氨基苄基)硫代吗啉1,1-二氧化物；4-(4-氨基苄基）-4-噻嗪烷-1，1-二酮；4-(4'-氨基苄基)硫代吗啉1,1-二氧化物
• 英文名称: 4-(S,S-dioxido-thiomorpholino-methyl)-aniline
• 英文别名: 4-(1,1-dioxo-thiomorpholin-4-yl-methyl)-aniline；4-(4-Amino-benzyl)-thiomorpholine 1,1-dioxide；4-(1,1-dioxo-1λ6-thiomorpholin-4-ylmethyl)-phenylamine；4-[(1,1-dioxidothiomorpholin-4-yl)methyl]aniline；4-(1,1-dioxo-1lambda* 6 *-thiomorpholin-4-ylmethyl)-phenylamine；4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
• CAS: 263339-24-8
• 化学式: C₁₁H₁₆N₂O₂S
• mdl: MFCD03407300
• 分子量: 240.326
• InChiKey: TZMCILRCGMFRJC-UHFFFAOYSA-N

物化性质

• 熔点：
  156 °C
• 沸点：
  465.3±40.0 °C(Predicted)
• 密度：
  1.301±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 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：
  C
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 海关编码：
  2934999090
• 危险品运输编号：
  UN 3259
• 储存条件：
  室温、密封、干燥

SDS

Name:	4-(4-Aminobenzyl)-1lambda~6~ 4-thiazinane-1 1-dione 90+% Material Safety Data Sheet
Synonym:
CAS:	263339-24-8

Section 1 - Chemical Product MSDS Name:4-(4-Aminobenzyl)-1lambda~6~ 4-thiazinane-1 1-dione 90+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
263339-24-8	4-(4-Aminobenzyl)-1lambda~6~,4-thiazin	90+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
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.

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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# 263339-24-8: 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 crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 168 - 170 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: C11H16N2O2S
Molecular Weight: 240.33

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 263339-24-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(4-Aminobenzyl)-1lambda~6~,4-thiazinane-1,1-dione - 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: AMINES, SOLID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 3259
Packing Group: III
IMO
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing Group: III
RID/ADR
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
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# 263339-24-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 263339-24-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 263339-24-8 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：

  4-(4’-氨基苄基)硫代吗啉 1,1-二氧化物 、 4-氯苄溴 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以67%的产率得到N-[(4-chlorophenyl)methyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
  参考文献：
  名称：

  [EN] NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS
  [FR] INHIBITEURS DE PROTÉINE KINASE ACTIVÉE PAR LE MITOGÈNE P38 DE SITE NON ATP/CATALYTIQUE

  摘要：

  提供了抑制p38a MAPK蛋白质的化合物，以及使用这些化合物治疗或预防癌症或炎症性疾病的方法。

  公开号：

  WO2021183970A1
• 作为产物：
  描述：

  二乙烯基砜 、 4-氨基苄胺 以 四氢呋喃 为溶剂， 以83%的产率得到4-(4’-氨基苄基)硫代吗啉 1,1-二氧化物
  参考文献：
  名称：

  [EN] NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS
  [FR] INHIBITEURS DE PROTÉINE KINASE ACTIVÉE PAR LE MITOGÈNE P38 DE SITE NON ATP/CATALYTIQUE

  摘要：

  提供了抑制p38a MAPK蛋白质的化合物，以及使用这些化合物治疗或预防癌症或炎症性疾病的方法。

  公开号：

  WO2021183970A1

文献信息

• [EN] PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS<br/>[FR] PYRROLOTRIAZINES EN TANT QU'INHIBITEURS D'ALK ET DE JAK2
  申请人：CEPHALON INC

  公开号：WO2010071885A1

  公开（公告）日：2010-06-24

  The present invention provides a compound of formula (I) or a salt form thereof, wherein Q1, Q2, Q3, and Q4 are as defined herein. The compound of formula (I) has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐形式，其中Q1、Q2、Q3和Q4如本文所定义。式（I）的化合物具有ALK和/或JAK2抑制活性，并可用于治疗增殖性疾病。
• [EN] NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINE KINASE ACTIVÉS PAR LE MITOGÈNE P38 DE SITE NON ATP/CATALYTIQUE
  申请人：UNIV MARYLAND

  公开号：WO2020118194A1

  公开（公告）日：2020-06-11

  Compounds that inhibit p38α MAPK protein, and methods of using the same, are provided for treating or preventing diseases such as cancer or inflammatory diseases.

  提供了抑制p38α MAPK蛋白的化合物，以及使用这些化合物治疗或预防癌症或炎症性疾病的方法。
• Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof
  申请人：Tsou Hwei-Ru

  公开号：US20080085890A1

  公开（公告）日：2008-04-10

  This invention provides compounds of Formula (I), having the structure where G 1 , G 2 , G 3 , G 4 , A 1 , A 2 , Y 1 , Y 2 , L 1 , Z, e and f are defined herein, or a pharmaceutically acceptable salt thereof, which are useful for treating or preventing cancer.

  这项发明提供了具有结构的化合物（I），其中G1、G2、G3、G4、A1、A2、Y1、Y2、L1、Z、e和f在此处定义，或其药用可接受盐，用于治疗或预防癌症。
• INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE
  申请人：Hurley Timothy Brian

  公开号：US20090325948A1

  公开（公告）日：2009-12-31

  The present invention relates to compounds that are selective and/or potent inhibitors of UPPS. In addition to compounds which inhibit UPPS, the invention also provides pharmaceutical compositions comprising these compounds and methods of using these compounds for treating bacterial disease, such as bacterial infection.

  本发明涉及选择性和/或有效抑制UPPS的化合物。除了抑制UPPS的化合物外，本发明还提供包含这些化合物的药物组合物以及使用这些化合物治疗细菌性疾病，如细菌感染的方法。
• [EN] HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES ET LEUR UTILISATION DANS LE TRAITEMENT DE L'HÉPATITE C
  申请人：ARROW THERAPEUTICS LTD

  公开号：WO2009034390A1

  公开（公告）日：2009-03-19

  Use of a compound of formula (I), or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for use in treating or alleviating HCV, formula (I): wherein R1, R2, R4, Y1, Y2, Y3, A, B and W are as defined in the specification.

  在制造用于治疗或缓解HCV的药物的过程中使用化合物(I)的一种，或其药学上可接受的盐，化合物(I)的结构如下：其中R1、R2、R4、Y1、Y2、Y3、A、B和W的定义如规范中所述。