Z-n-(n-beta-boc-氨基乙基)-gly-oh | 34046-07-6

• 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: Z-n-(n-beta-boc-氨基乙基)-gly-oh
• 中文别名: Z-N-(N-Β-BOC-氨基乙基)-GLY-OH
• 英文名称: N-benzyloxycarbonyl-N-(2-t.butoxycarbonylaminoethyl)glycine
• 英文别名: N-Benzyloxycarbonyl-N-(2-t-butocycarbonylaminoethyl)-glycin；N-Benzyloxycarbonyl-N-(2-t-butyloxycarbonylaminoethyl)-glycine；N-benzyloxycarbonyl-N-'(BOC-aminoethyl)glycine；Z-N-(N-beta-Boc-aminoethyl)-gly-OH；2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-phenylmethoxycarbonylamino]acetic acid
• CAS: 34046-07-6
• 化学式: C₁₇H₂₄N₂O₆
• 分子量: 352.387
• InChiKey: LHHFRSUKEDBJFS-UHFFFAOYSA-N

物化性质

• 熔点：
  64.5-85 °C
• 沸点：
  533.8±50.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2924299090
• 储存条件：
  -20°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Z-N-(N-Beta-boc-aminoethyl)-gly-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: Z-N-(N-Beta-boc-aminoethyl)-gly-oh
CAS number: 34046-07-6

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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: C17H24N2O6
Molecular weight: 352.4

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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.

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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：

  Z-n-(n-beta-boc-氨基乙基)-gly-oh 在 氢溴酸 、 溶剂黄146 作用下， 生成 N-(2-氨乙基)甘氨酸
  参考文献：
  名称：

  含有N -2-氨基乙基甘氨酸的肽的合成-“还原类似物”

  摘要：

  描述了含有N -2-氨基乙基甘氨酸（甘氨酰甘氨酸的“还原类似物”）的肽的合成和性质。[3-甘氨酸]-缓激肽的“ 3，4-还原类似物”在豚鼠回肠试验中没有活性。

  DOI：

  10.1039/j39710003393
• 作为产物：
  描述：

  N-[2-(叔丁氧羰基氨基)乙基]甘氨酸乙酯盐酸盐 在 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.5h， 生成 Z-n-(n-beta-boc-氨基乙基)-gly-oh
  参考文献：
  名称：

  双面肽核酸：高胸腺嘧啶-同胞嘧啶双峰Cα-PNA（bm - Cα -PNA）形成bm -PNA 2的双链体：DNA Triplex

  摘要：

  Cα-双峰肽核酸（bm - Cα- PNA）是具有两个面的PNA，被设计为PNA的同源物，其中标准PNA骨架中的每个氨基乙基甘氨酸（aeg）重复单元在Cα处通过带有一个三唑接头。这种具有混合序列的bm -Cα-PNA可通过同时与两个互补DNA结合而形成双链体，两个互补DNA分别与t-酰胺侧的碱基序列结合，而另一个与Cα侧链的碱基结合。bm -Cα-PNA的合成，在叔酰胺面上有高胸腺嘧啶（T 7）和高胞嘧啶（C 5通过三唑接头在Cα侧链上的固相合成是通过固相合成和整体点击反应实现的。在互补DNA DA的存在8和DG 6在中性pH下，BM -Cα-PNA 1所形成高阶一个五聚体组成的三链体的双双工2 BM -Cα-PNA-C 5：dG的5个构建在核心双链（BM -Cα-PNA-T 7）2：DA 8三层 圆二色性研究表明，组装可以通过首先进行三重结合，然后通过双面进行，反之亦然。等温滴定量热法数

  DOI：

  10.1021/acs.joc.0c02158

文献信息

• CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS
  申请人：POLYPHOR AG

  公开号：US20150051183A1

  公开（公告）日：2015-02-19

  The conformationally restricted, spatially defined macrocyclic ring system of formula (I) is constituted by three distinct molecular parts: Template A, conformation Modulator B and Bridge C. Macrocycles described by this ring system I are readily manufactured by parallel synthesis or combinatorial chemistry in solution or on solid phase. They are designed to interact with a variety of specific biological target classes, examples being agonistic or antagonistic activity on G-protein coupled receptors (GPCRs), inhibitory activity on enzymes or antimicrobial activity. In particular, these macrocycles show inhibitory activity on endothelin converting enzyme of subtype 1 (ECE-1) and/or the cysteine protease cathepsin S (CatS), and/or act as antagonists of the oxytocin (OT) receptor, thyrotropin-releasing hormone (TRH) receptor and/or leukotriene B4 (LTB4) receptor, and/or as agonists of the bombesin 3 (BB3) receptor, and/or show antimicrobial activity against at least one bacterial strain. Thus they are showing great potential as medicaments for a variety of diseases.

  公式（I）的构象受限、空间定义的大环环系统由三个不同的分子部分组成：模板A、构象调节剂B和桥C。由这种环系统I描述的大环可通过并行合成或溶液中或固相上的组合化学轻松制造。它们被设计用于与各种特定生物靶标类相互作用，例如在G蛋白偶联受体（GPCR）上的激动或拮抗活性，酶的抑制活性或抗菌活性。特别是，这些大环显示对亚型1的内皮素转化酶（ECE-1）和/或半胱氨酸蛋白酶卡特普辛S（CatS）的抑制活性，和/或作为催产素（OT）受体、促甲状腺释放激素（TRH）受体和/或白三烯B4（LTB4）受体的拮抗剂，和/或作为瘤胃素3（BB3）受体的激动剂，和/或对至少一种细菌菌株显示抗菌活性。因此，它们显示出作为各种疾病药物的巨大潜力。
• Peptide nucleic acids
  申请人：——

  公开号：US05539082A1

  公开（公告）日：1996-07-23

  A novel class of compounds, known as peptide nucleic acids, bind complementary ssDNA and RNA strands more strongly than a corresponding DNA. The peptide nucleic acids generally comprise ligands such as naturally occurring DNA bases attached to a peptide backbone through a suitable linker.

  一种新型化合物，被称为肽核酸，比相应的DNA更强烈地结合互补的单链DNA和RNA链。肽核酸通常包括配体，例如天然存在的DNA碱基，通过适当的连接剂连接到肽骨架上。
• Double-stranded peptide nucleic acids
  申请人：——

  公开号：US06228982B1

  公开（公告）日：2001-05-08

  A novel class of compounds, known as peptide nucleic acids, form double-stranded structures with one another and with ssDNA. The peptide nucleic acids generally comprise ligands such as naturally occurring DNA bases attached to a peptide backbone through a suitable linker.

  一种新型化合物，被称为肽核酸，彼此之间和与单链DNA形成双链结构。肽核酸通常包括配体，例如天然存在的DNA碱基，通过适当的连接剂连接到肽骨架上。
• Synthetic procedures for peptide nucleic acids
  申请人：——

  公开号：US06713602B1

  公开（公告）日：2004-03-30

  A novel class of compounds, known as peptide nucleic acids, bind complementary ssDNA and RNA strands more strongly than a corresponding DNA. The peptide nucleic acids generally comprise ligands such as naturally occurring DNA bases attached to a peptide backbone through a suitable linker.

  一种新型化合物类别，被称为肽核酸，比相应的DNA更强烈地结合互补的单链DNA和RNA链。肽核酸通常包括配体，如天然存在的DNA碱基，通过适当的连接剂连接到肽骨架上。
• Linked peptide nucleic acids
  申请人：ISIS Pharmaceuticals, Inc.

  公开号：US06441130B1

  公开（公告）日：2002-08-27

  Novel peptide nucleic acids and novel linked peptide nucleic acids, form triple stranded structures with nucleic acids. The peptide nucleic acids include ligands such as naturally occurring nucleobases attached to the peptide backbone through a suitable linker. Other nucleobases including C-pyrimidines and iso-pyrimidines can be used as the ligands in Hoogsteen strands to increase binding affinity. Two peptide nucleic acid strands are joined together with a linker to form a bis-peptide nucleic acid. The individual strands of the peptide nucleic acids in the bis compounds can be oriented either parallel or antiparallel to each other.

  新型肽核酸和新型连接的肽核酸与核酸形成三股结构。肽核酸包括配体，例如通过适当的连接剂连接到肽骨架上的天然存在的核碱基。其他核碱基，包括C-嘧啶和异嘧啶，可以用作胡格斯块链中的配体，以增加结合亲和力。两条肽核酸链通过连接剂连接在一起形成双肽核酸。双化合物中肽核酸的单条链可以平行或反平行定向。