氨甲酸,[(1S)-1-(羟甲基)-2-[(苯基甲基)硫代]乙基]-,1,1-二甲基乙基酯 | 198470-16-5

• 物质功能分类: 生物化工 - 生化试剂 - 氨基酸
• 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: 氨甲酸,[(1S)-1-(羟甲基)-2-[(苯基甲基)硫代]乙基]-,1,1-二甲基乙基酯
• 英文名称: Boc-D-cys(bzl)-OL
• 英文别名: tert-butyl N-[(2S)-1-benzylsulfanyl-3-hydroxypropan-2-yl]carbamate
• CAS: 198470-16-5
• 化学式: C₁₅H₂₃NO₃S
• 分子量: 297.419
• InChiKey: MEZQRZMTIJTPIY-ZDUSSCGKSA-N

物化性质

• 沸点：
  442.9±40.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  83.9
• 氢给体数：
  2
• 氢受体数：
  4

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Boc-d-cys(bzl)-ol
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: Boc-d-cys(bzl)-ol
CAS number: 198470-16-5

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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: C15H23NO3S
Molecular weight: 297.4

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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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  N-(叔丁氧羰基)-S-(苯基甲基)-D-半胱氨酸	N-tert-butyloxycarbonyl-(S)-benzyl-N-(tert-butyloxycarbonyl)-D-cysteine	102830-49-9	C15H21NO4S	311.402

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	tert-butyl N-[(2S)-1-benzylsulfanyl-3-oxopropan-2-yl]carbamate	119927-73-0	C15H21NO3S	295.403

反应信息

• 作为反应物：
  描述：

  氨甲酸,[(1S)-1-(羟甲基)-2-[(苯基甲基)硫代]乙基]-,1,1-二甲基乙基酯 在 pyridine-SO3 complex 、 sodium hydrogensulfite 、 二甲基亚砜 、 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 生成 ((S)-1-Benzylsulfanylmethyl-2-cyano-2-hydroxy-ethyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  3-氨基-2-羟酰胺和相关化合物作为蛋氨酸氨基肽酶-2的抑制剂。

  摘要：

  取代的3-氨基-2-羟基酰胺和相关的羟基酰胺和酰基肼被鉴定为人甲硫氨酸氨基肽酶2（MetAP2）的抑制剂。通过平行合成和基于迭代结构的设计检查取代基，可以鉴定出对MetAP1具有良好选择性的强效抑制剂。二酰基肼3t（A-357300）被鉴定为对人微血管内皮细胞（HMVEC）的蛋氨酸加工和细胞增殖具有抑制作用的类似物。

  DOI：

  10.1016/j.bmcl.2003.12.031
• 作为产物：
  描述：

  N-(叔丁氧羰基)-S-(苯基甲基)-D-半胱氨酸 在 红铝 作用下， 以 甲苯 为溶剂， 生成 氨甲酸,[(1S)-1-(羟甲基)-2-[(苯基甲基)硫代]乙基]-,1,1-二甲基乙基酯
  参考文献：
  名称：

  3-氨基-2-羟酰胺和相关化合物作为蛋氨酸氨基肽酶-2的抑制剂。

  摘要：

  取代的3-氨基-2-羟基酰胺和相关的羟基酰胺和酰基肼被鉴定为人甲硫氨酸氨基肽酶2（MetAP2）的抑制剂。通过平行合成和基于迭代结构的设计检查取代基，可以鉴定出对MetAP1具有良好选择性的强效抑制剂。二酰基肼3t（A-357300）被鉴定为对人微血管内皮细胞（HMVEC）的蛋氨酸加工和细胞增殖具有抑制作用的类似物。

  DOI：

  10.1016/j.bmcl.2003.12.031

文献信息

• 3-Amino-2-hydroxyamides and related compounds as inhibitors of methionine aminopeptidase-2
  作者：George S. Sheppard、Jieyi Wang、Megumi Kawai、Nwe Y. BaMaung、Richard A. Craig、Scott A. Erickson、Linda Lynch、Jyoti Patel、Fan Yang、Xenia B. Searle、Pingping Lou、Chang Park、Ki H. Kim、Jack Henkin、Richard Lesniewski

  DOI：10.1016/j.bmcl.2003.12.031

  日期：2004.2

  and related hydroxyamides and acylhydrazines were identified as inhibitors of human methionine aminopeptidase-2 (MetAP2). Examination of substituents through parallel synthesis and iterative structure-based design allowed the identification of potent inhibitors with good selectivity against MetAP1. Diacylhydrazine 3t (A-357300) was identified as an analogue displaying inhibition of methionine processing

  取代的3-氨基-2-羟基酰胺和相关的羟基酰胺和酰基肼被鉴定为人甲硫氨酸氨基肽酶2（MetAP2）的抑制剂。通过平行合成和基于迭代结构的设计检查取代基，可以鉴定出对MetAP1具有良好选择性的强效抑制剂。二酰基肼3t（A-357300）被鉴定为对人微血管内皮细胞（HMVEC）的蛋氨酸加工和细胞增殖具有抑制作用的类似物。