BOC-N-乙基甘氨酸 | 149794-10-5

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 甘氨酸类衍生物
• 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: BOC-N-乙基甘氨酸
• 中文别名: Boc-N-乙基甘氨酸
• 英文名称: N-(tert-buytoxycarbonyl)-N-ethylglycine
• 英文别名: 2-((tert-butoxycarbonyl)(ethyl)amino)acetic acid；N-Boc-N-ethylglycine；[(tert-butoxycarbonyl)(ethyl)amino]acetic acid；N-(tert-butoxycarbonyl)-N-ethylglycine；Boc-N-ethyl-glycine；BOC-N-ethylglycine；2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
• CAS: 149794-10-5
• 化学式: C₉H₁₇NO₄
• mdl: MFCD00672508
• 分子量: 203.238
• InChiKey: SPBIXXXFDSLALC-UHFFFAOYSA-N

物化性质

• 熔点：
  87-88℃
• 沸点：
  302.7±21.0 °C(Predicted)
• 密度：
  1.113±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2924299090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  存储于0°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Boc-N-ethyl glycine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician

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Section 3. Composition/information on ingredients.
Ingredient name: Boc-N-ethyl glycine
CAS number: 149794-10-5

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C9H17NO4
Molecular weight: 203.2

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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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (Boc-N-ethyl glycine)

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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-N-乙基甘氨酸是甘氨酸（HY-Y0966）的衍生物。

反应信息

• 作为反应物：
  描述：

  BOC-N-乙基甘氨酸 在 N-甲基哌啶 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 16.03h， 生成
  参考文献：
  名称：

  新型口服活性纤维蛋白原受体拮抗剂的设计。

  摘要：

  整联蛋白受体识别序列Arg-Gly-Asp已成功用作模板，从中可开发出一系列作用力强，选择性，口服活性，基于肽的纤维蛋白原受体拮抗剂，且作用时间长。以Arg和Gly残基为中心的简单修饰很快导致修饰肽（1）具有显着增强的抑制体外血小板凝集的能力。哌啶取代1中的胍基提供3，不仅显示出效力的进一步提高，而且显示出适度的口服功效。最后，探索C端氨基酸的侧链功能和羧基末端的性质，得出了一组分子，这些分子在抑制血小板聚集方面表现出优异的体外效力，出色的整联蛋白选择性，

  DOI：

  10.1021/jm9801096
• 作为产物：
  描述：

  甘氨酸叔丁酯 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 3.67h， 生成 BOC-N-乙基甘氨酸
  参考文献：
  名称：

  基于萘二甲酰亚胺的Cd2 +荧光探针，具有氨基甲酰基甲基，在中性条件下起螯合剂和PET促进剂的作用

  摘要：

  我们开发了一种新型的基于萘二甲酰亚胺的Cd 2+荧光探针（1），该探针具有很高的缔合常数[ K =（2.10±0.423）×10 6 ]，几乎没有背景响应，对Cd 2+的敏感性和选择性高，实际的工作pH范围。通过用正丁基取代酰亚胺和酰胺取代基赋予膜通透性1，因此衍生物（4）已发现可用于HeLa细胞中Cd 2+的荧光成像。衍生自1的各种化合物之间的荧光性质比较已经证明的是，在氨基甲酰基组1层的功能不仅是作为镉2+螯合剂而且还作为光诱导电子转移（PET）通过降低两个叔氨基的碱性促进剂。结果，1和4在中性条件下作为Cd 2+探针显示出高度实用的性能。

  DOI：

  10.1002/chem.201600556
• 作为试剂：
  描述：

  2,2,6,6-四甲基哌啶氧化物 、 乙腈 在 nickel(II) iodide 、 4-甲氧基苯乙烯 、 silver carbonate 、 BOC-N-乙基甘氨酸 作用下， 反应 0.24h， 以75%的产率得到2-((2,2,6,6-tetramethylpiperidin-1-yl)oxy)acetonitrile
  参考文献：
  名称：

  通过C（sp 3）–H官能团通过 银介导的苯乙烯与腈和酸的氧化1,2-烷基酯化†

  摘要：

  通过C（sp 3）–H官能化工艺，开发了一种新的由银催化的烯烃与腈和酸的银介导的1,2-烷基酯化反应，催化量的镍催化剂可用于生产酰氧基化的腈。通过使用NiI 2和Ag 2 CO 3催化体系，该方法相对于羧酸包括直链烷基酸，环酸，芳基酸和氨基酸具有广泛的底物范围。

  DOI：

  10.1039/c9cc06437k

文献信息

• [EN] CONTROLLED-RELEASE TYROSINE KINASE INHIBITOR COMPOUNDS WITH LOCALIZED PK PROPERTIES<br/>[FR] COMPOSÉS INHIBITEURS DE TYROSINE KINASE À LIBÉRATION CONTRÔLÉE PRÉSENTANT DES PROPRIÉTÉS PHARMACOCINÉTIQUES LOCALISÉES
  申请人：ASCENDIS PHARMA ONCOLOGY DIV A/S

  公开号：WO2020254613A1

  公开（公告）日：2020-12-24

  The present invention relates to a water-insoluble controlled-release tyrosine kinase inhibitor ("TKI") compound for use in the treatment of a cell-proliferation disorder, wherein said water-insoluble controlled-release TKI compound releases one or more TKI drug, wherein the water-insoluble controlled-release TKI compound is administered by intra-tissue administration and wherein the total amount of TKI moieties and TKI drug molecules remaining locally in such tissue 3 days after said intra-tissue administration is at least 25% of the amount of TKI moieties or TKI drug molecules administered by said intra-tissue administration; and to related aspects.

  本发明涉及一种水不溶性控释酪氨酸激酶抑制剂（“TKI”）化合物，用于治疗细胞增殖紊乱，其中所述水不溶性控释TKI化合物释放一种或多种TKI药物，所述水不溶性控释TKI化合物通过组织内给药给予，并且在所述组织内给药后的第3天，所述组织中残留的TKI基团和TKI药物分子的总量至少为所述组织内给药给予的TKI基团或TKI药物分子总量的25％；以及相关方面。
• [EN] SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS<br/>[FR] DÉRIVÉS DE SORDARINE POUR PRÉVENIR OU TRAITER DES MALADIES INFECTIEUSES CAUSÉES PAR DES MICRO-ORGANISMES PATHOGÈNES
  申请人：ASTELLAS PHARMA INC

  公开号：WO2009131246A1

  公开（公告）日：2009-10-29

  This invention relates to a new sordarin derivative or a pharmaceutically acceptable salt thereof, which has antimicrobial activities (especially, antifungal activities), to process for preparation thereof, to a pharmaceutical composition comprising the same, and to a method for prophylactic and/or therapeutic treatment of infectious diseases in a human being or an animal.

  这项发明涉及一种新的索达林衍生物或其药用可接受的盐，该衍生物具有抗菌活性（特别是抗真菌活性），其制备方法，包含该衍生物的药物组合物，以及用于预防或治疗人类或动物传染性疾病的方法。
• [EN] SUBSTITUTED SULFONAMIDE COMPOUNDS<br/>[FR] COMPOSÉS DE SULFONAMIDE SUBSTITUÉS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014049047A1

  公开（公告）日：2014-04-03

  The invention is concerned with the compounds of formula (I), and salts thereof, wherein X, Y, Z, R1, R2, R3, R3, R4, R5 and R6 are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of Formula (I) as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain.

  本发明涉及公式(I)的化合物及其盐，其中X、Y、Z、R1、R2、R3、R3、R4、R5和R6在详细描述和权利要求中定义。此外，本发明还涉及制造和使用公式(I)化合物的方法，以及含有此类化合物的药物组合物。这些化合物可能对治疗由TRPA1介导的疾病和状况，如疼痛，有益。
• Azacyclosteroid histamine-3 receptor ligands
  申请人：Zhao Chen

  公开号：US20050227953A1

  公开（公告）日：2005-10-13

  Azacyclosteroid histamine-3 receptor ligands, pharmaceutical compositions comprising such compounds, and methods for using such compounds and compositions are described herein.

  阿扎环状类固醇组胺-3受体配体、包含该化合物的药物组合物以及使用这些化合物和组合物的方法在本文件中进行了描述。
• Novel Compounds 002
  申请人：Beha Sara

  公开号：US20090062251A1

  公开（公告）日：2009-03-05

  Compounds of Formulae I, or pharmaceutically acceptable salts thereof: wherein R 1 , R 2 and Y are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  式I的化合物，或其药用可接受的盐： 其中R1、R2和Y如规范中定义的那样，以及包括这些化合物的盐和药物组合物已经准备好。它们在治疗中很有用，特别是在疼痛管理中。