S-Tritylmercapturic acid | 27486-87-9

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 天然氨基酸及其衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: S-Tritylmercapturic acid
• 英文别名: Acetyl-S-trityl-L-cysteine；2-acetamido-3-tritylsulfanylpropanoic acid
• CAS: 27486-87-9
• 化学式: C₂₄H₂₃NO₃S
• 分子量: 405.518
• InChiKey: KCVPASSMLHHOIF-UHFFFAOYSA-N

物化性质

• 沸点：
  619.6±55.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2930909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  | 2-8°C |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ac-cys(trt)-oh
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Ac-cys(trt)-oh
CAS number: 27486-87-9

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C24H23NO3S
Molecular weight: 405.5

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  S-Tritylmercapturic acid 、 苯胺 在 三乙胺 、 氯甲酸异丁酯 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以47%的产率得到
  参考文献：
  名称：

  Ag +与具有β-转角结构的手性硫醇配体的配位聚合物的超分子手性†

  摘要：

  我们报道了由Ag +和具有β-转角结构的手性硫醇配体形成的配位聚合物，表现出超分子手性，既显示了多数规则效应（MRE）又具有外消旋规则效应（RRE）。

  DOI：

  10.1039/c9cc07590a
• 作为产物：
  描述：

  三苯基甲醇 、 N-乙酰基-L-半胱氨酸 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以79.5%的产率得到S-Tritylmercapturic acid
  参考文献：
  名称：

  Ag +与具有β-转角结构的手性硫醇配体的配位聚合物的超分子手性†

  摘要：

  我们报道了由Ag +和具有β-转角结构的手性硫醇配体形成的配位聚合物，表现出超分子手性，既显示了多数规则效应（MRE）又具有外消旋规则效应（RRE）。

  DOI：

  10.1039/c9cc07590a

文献信息

• Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof
  申请人：Sheu Shey-Shing

  公开号：US20060160748A1

  公开（公告）日：2006-07-20

  Disclosed are compounds containing single amino acids, peptides, or derivatives thereof which are selectively delivered to the mitochondria of a cell. Compounds of the invention exhibit antioxidant activity thereby reducing reactive oxygen species in cells. These compounds are useful for inhibiting oxidative stress-induced cell injury or death both in vivo and ex vivo. In addition, methods for the synthesis of these compounds are disclosed.

  本发明揭示了一种含有单个氨基酸、肽或其衍生物的化合物，该化合物可选择性地传递到细胞的线粒体。本发明的化合物表现出抗氧化活性，从而减少细胞内的反应性氧化物种。这些化合物对于抑制体内和体外氧化应激引起的细胞损伤或死亡非常有用。此外，本发明还揭示了这些化合物的合成方法。
• Compounds for Delivering Amino Acids or Peptides with Antioxidant Activity into Mitochondria and Use Thereof
  申请人：Sheu Shey-Shing

  公开号：US20090298782A1

  公开（公告）日：2009-12-03

  Disclosed are compounds containing single amino acids, peptides, or derivatives thereof which are selectively delivered to the mitochondria of a cell. Compounds of the invention exhibit antioxidant activity thereby reducing reactive oxygen species in cells. These compounds are useful for inhibiting oxidative stress-induced cell injury or death both in vivo and ex vivo. In addition, methods for the synthesis of these compounds are disclosed.

  本发明揭示了包含单个氨基酸、多肽或其衍生物的化合物，这些化合物可选择性地传递到细胞的线粒体中。本发明的化合物表现出抗氧化活性，从而减少细胞中的反应性氧化物。这些化合物对于抑制体内和体外氧化应激诱导的细胞损伤或死亡非常有用。此外，还揭示了这些化合物的合成方法。
• Compounds for Delivering Amino Acids or Peptides with Antioxidant Activity into Mitochondria
  申请人：Sheu Shey-Shing

  公开号：US20110257107A1

  公开（公告）日：2011-10-20

  Disclosed are compounds containing single amino acids, peptides, or derivatives thereof which are selectively delivered to the mitochondria of a cell. Compounds of the invention exhibit antioxidant activity thereby reducing reactive oxygen species in cells. These compounds are useful for inhibiting oxidative stress-induced cell injury or death both in vivo and ex vivo. In addition, methods for the synthesis of these compounds are disclosed.

  本发明涉及包含单个氨基酸、肽或其衍生物的化合物，这些化合物能够选择性地传递到细胞的线粒体。本发明的化合物表现出抗氧化活性，从而减少细胞内的反应性氧化物种。这些化合物对于抑制氧化应激诱导的细胞损伤或死亡在体内和体外均有用。此外，本发明还揭示了这些化合物的合成方法。
• COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF
  申请人：UNIVERSITY OF ROCHESTER

  公开号：EP1691818A2

  公开（公告）日：2006-08-23
• EP1691818A4
  申请人：——

  公开号：EP1691818A4

  公开（公告）日：2007-01-24