叔丁氧甲酰基-N-ε-二甲基-L-赖氨酸 | 65671-53-6

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 赖氨酸类衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 叔丁氧甲酰基-N-ε-二甲基-L-赖氨酸
• 中文别名: N-Α-叔丁氧甲酰基-N-Ε-L-赖氨酸；N-a-叔丁氧甲酰基-N-Ε-L-赖氨酸；N-叔丁氧甲酰基-N',N'-二甲基-L-赖氨酸；N(ALPHA)-BOC-N(EPSILON),N(EPSILON)-二甲基-L-赖氨酸；叔丁氧甲酰基-N-Ε-二甲基-L-赖氨酸；N-α-叔丁氧甲酰基-N-ε-L-赖氨酸
• 英文名称: N-boc dimethyl-L-lysine
• 英文别名: Boc-Lys(Me2)-OH；Nε,Nε-dimethyl-Nα-boc L-lysine；Boc-Lys(Me)₂-OH；Boc-Lys(Me₂)-OH；N-Boc-dimethyllysine；Boc-L-Lys(Me2)-OH；Boc-lys(ME)2-OH；(2S)-6-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
• CAS: 65671-53-6
• 化学式: C₁₃H₂₆N₂O₄
• mdl: MFCD00076965
• 分子量: 274.36
• InChiKey: KPXRFYHPDPDJSY-JTQLQIEISA-N

物化性质

• 沸点：
  413.3±40.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.846
• 拓扑面积：
  82.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• WGK Germany：
  2
• 海关编码：
  2924199090
• 储存条件：
  -15°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Boc-Lys(Me)2-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: Boc-Lys(Me)2-OH
CAS number: 65671-53-6

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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, refrigerated.
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: C13H26N2O4
Molecular weight: 274.4

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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

制备方法与用途

Boc-Lys(Me)₂-OH是一种可用作合成原料的赖氨酸衍生物。

反应信息

• 作为反应物：
  描述：

  叔丁氧甲酰基-N-ε-二甲基-L-赖氨酸 在 盐酸 、 PS-carbodiimide resin 、 茴香硫醚 、 PS-DIEA resin 、 戴斯-马丁氧化剂 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.75h， 生成 (S)-6-Dimethylamino-2-((R)-3-phenyl-2-phenylmethanesulfonylamino-propionylamino)-hexanoic acid [(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide
  参考文献：
  名称：

  Polymer-Assisted Solution-Phase Library Synthesis and Crystal Structure of α-Ketothiazoles as Tissue Factor VIIa Inhibitors

  摘要：

  A solution-phase synthesis of an alpha-ketothiazole library of the general form D-Phe-L-AA-Arg-alpha-ketothiazole is described. The five-step synthesis is accomplished using a combination of polymeric reagents and polymer-assisted solution-phase purification concepts, including reactant-sequestering resins, reagent-sequestering resins, and tagged reagents. The multistep synthesis affords desired alpha-ketothiazole products in excellent purities and yields. A variety of L-amino acid inputs were used to probe the S-2 pocket of tissue Factor VIIa enzyme to influence both potency and selectivity. An X-ray crystal structure of compound 10k bound to the TF/ VIIa complex was obtained that explains the observed selectivity. The alpha-ketothiazoles were found to be potent, reversible-covalent inhibitors of tissue Factor VIIa, with some analogues demonstrating selectivity over thrombin.

  DOI：

  10.1021/jm030130t
• 作为产物：
  描述：

  聚合甲醛 、 N-alpha-叔丁氧羰基-L-赖氨酸 在 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以92%的产率得到叔丁氧甲酰基-N-ε-二甲基-L-赖氨酸
  参考文献：
  名称：

  [EN] ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION OF BRM AND METHODS THEREOF
  [FR] INDUCTEURS CHIMIQUES DE DÉGRADATION DE BRM CONJUGUÉS À DES ANTICORPS ET MÉTHODES ASSOCIÉES

  摘要：

  本文描述的主题是针对BRM的抗体-CIDE偶联物（Ab-CIDEs），用于降解BRM，以及包含它们的药物组合物，以及它们在治疗BRM降解有益的疾病和症状中的应用。

  公开号：

  WO2022020288A1

文献信息

• PHENYLQUINAZOLINE DERIVATIVES
  申请人：Eggenweiler Hans-Michael

  公开号：US20130178443A1

  公开（公告）日：2013-07-11

  Novel quinazolinamide derivatives of the formula (I), in which R1-R43 and X have the meanings indicated in claim 1 , are HSP90 inhibitors and can be used for the preparation of a medicament for the treatment of diseases in which the inhibition, regulation and/or modulation of HSP90 plays a role.

  化合物(I)的新型喹唑啉酰胺衍生物，其中R1-R43和X具有权利要求书中指示的含义，是HSP90抑制剂，可用于制备用于治疗HSP90在疾病的抑制、调节和/或调控中发挥作用的药物。
• [EN] COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR L'INHIBITION DE L'ACTIVITÉ DE DÉVELOPPEMENT D'ECTODERME EMBRYONNAIRE DE PROTÉINE ET DE TRAITEMENT D'UNE MALADIE
  申请人：EXO THERAPEUTICS INC

  公开号：WO2021195183A1

  公开（公告）日：2021-09-30

  The invention provides compounds that are inhibitors of the protein embryonic ectoderm development (EED), pharmaceutical compositions, their use in modulating the activity of EED, and their use in the treatment of medical disorders, such as cancer. The invention further provides methods of treating medical disorders, such as cancer, and covalently modifying and/or modulating the activity of EED, using an agent that reacts with, and forms a covalent bond to, cysteine324 of EED.

  这项发明提供了抑制蛋白胚胎外胚层发育（EED）的化合物，药物组合物，它们在调节EED活性中的应用，以及它们在治疗癌症等医学疾病中的应用。该发明还提供了治疗医学疾病（如癌症）的方法，并利用一种与EED的半胱氨酸324发生反应并形成共价键的试剂，对EED进行共价修饰和/或调节活性。
• Quinazoline derivatives useful in cancer treatment
  申请人：Mallams K. Alan

  公开号：US20070015774A1

  公开（公告）日：2007-01-18

  The present invention provides compounds of Formula I (wherein R 1 , R 2 , R 3 , L, and X are as defined herein). or a pharmaceutically acceptable salt, solvate or ester thereof. The present invention also provides compositions comprising these compounds that are useful for treating cellular proliferative diseases, disorders associated with activity of mutants of p53, or in causing apoptosis of cancer cells.

  本发明提供了式I的化合物（其中R1、R2、R3、L和X如本文所定义）。或其药用可接受的盐、溶剂或酯。本发明还提供了包含这些化合物的组合物，用于治疗细胞增殖性疾病、与p53突变体活性有关的疾病，或导致癌细胞凋亡。
• [EN] CATIONIC LIPIDS FOR NUCLEIC ACID DELIVERY AND PREPARATION THEREOF<br/>[FR] LIPIDES CATIONIQUES POUR L'ADMINISTRATION D'ACIDES NUCLÉIQUES ET LEUR PRÉPARATION
  申请人：TECH INNOVATION MOMENTUM FUND ISRAEL LIMITED PARTNERSHIP

  公开号：WO2018087753A1

  公开（公告）日：2018-05-17

  The present invention provides cationic lipids and lipid nanoparticle formulations comprising these lipids, alone or in combination with other lipids. These lipid nanoparticles may be formulated with nucleic acids to facilitate their intracellular delivery both in vitro and for therapeutic applications. The present invention also provides methods of chemical synthesis of these lipids, lipid nanoparticle preparation and formulation with nucleic acids.

  本发明提供了阳离子脂质和脂质纳米粒子配方，包括这些脂质单独使用或与其他脂质结合。这些脂质纳米颗粒可以与核酸配方，以促进它们在体外和治疗应用中的细胞内传递。本发明还提供了这些脂质的化学合成方法，脂质纳米颗粒制备和与核酸配方的配方方法。
• Parallel solid phase synthesis of tetrasubstituted diethylenetriamines via selective amide alkylation and exhaustive reduction of N-acylated dipeptides
  作者：Adel Nefzi、John M. Ostresh、Richard A. Houghten

  DOI：10.1016/s0040-4020(98)01043-6

  日期：1999.1

  Polyamines are a rapidly developing area of vital importance to biomedical science. Selective N-alkylation followed by N-terminal acylation and the complete reduction of carbonyl amide bonds enables the preparation by parallel solid phase synthesis of a wide range of N1,N5,1,4-tetrasubstituted-1,5-diamino-3-azapentane derivatives.

  多胺是对生物医学至关重要的快速发展领域。选择性的N-烷基化，接着通过N-末端酰化和的羰酰胺键的完全降低使得能够通过宽范围的N个并行固相合成制备1，N 5，1,4-四取代-1,5-二氨基-3- -氮杂戊烷衍生物。