5-氨基戊酸-p-甲苯基苄酯 | 63649-14-9

• 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: 5-氨基戊酸-p-甲苯基苄酯
• 中文别名: Z-ARG(地铁)-OTBU
• 英文名称: H-δ-aminovaleric-(OBn) p-toluenesulfonate
• 英文别名: benzyl 5-aminovaleriate tosylate；benzyl 5-aminopentanoate p-toluenesulfonic acid salt；δ-aminovaleric acid benzyl ester p-toluenesulfonate；5-aminopentanoic acid benzyl ester p-toluenesulfonate；4-(benzyloxycarbonyl)butylamine para toluene sulphonate salt；5-Aminopentanoic Acid Benzyl Ester Tosylate；benzyl 5-aminopentanoate;4-methylbenzenesulfonic acid
• CAS: 63649-14-9
• 化学式: C₇H₈O₃S*C₁₂H₁₇NO₂
• 分子量: 379.477
• InChiKey: DTPAHSRXTRSFJW-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于二氯甲烷、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2922499990

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Aminopentanoic acid-benzyl ester p-tosylate
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: 5-Aminopentanoic acid-benzyl ester p-tosylate
CAS number: 63649-14-9

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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: C12H17NO2.C7H8O3S
Molecular weight: 379.5

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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：

  5-氨基戊酸-p-甲苯基苄酯 在 甲酸 、 三乙酰氧基硼氢化钠 、 碳酸氢钠 、 三乙胺 作用下， 以 二氯甲烷 、 水 、 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 10.5h， 生成 Benzyl 5-[(1-carbonochloridoylpiperidin-4-yl)-phenylmethoxycarbonylamino]pentanoate
  参考文献：
  名称：

  RPR 121056A（伊立替康的主要代谢物）的半合成（CPT-11）

  摘要：

  RPR 121056A的（半合成4 0，伊立替康（CPT-11，的主要代谢物2），将报告从SN-38（起始3）和适当的侧链precusor，使用两步骤的序列。此半合成RPR 121056A是基于SN-38用方便保护的氨基甲酰氯衍生物10进行10-O-酰化，然后通过氢解裂解苄基保护基而得到的，体外初步结果表明RPR 121056A没有细胞毒性。

  DOI：

  10.1016/0040-4039(96)01387-1
• 作为产物：
  描述：

  对甲苯磺酸 、 苯甲醇 、 5-氨基颉草酸 在 对甲苯磺酰氯 作用下， 反应 2.5h， 以83%的产率得到5-氨基戊酸-p-甲苯基苄酯
  参考文献：
  名称：

  RPR 121056A（伊立替康的主要代谢物）的半合成（CPT-11）

  摘要：

  RPR 121056A的（半合成4 0，伊立替康（CPT-11，的主要代谢物2），将报告从SN-38（起始3）和适当的侧链precusor，使用两步骤的序列。此半合成RPR 121056A是基于SN-38用方便保护的氨基甲酰氯衍生物10进行10-O-酰化，然后通过氢解裂解苄基保护基而得到的，体外初步结果表明RPR 121056A没有细胞毒性。

  DOI：

  10.1016/0040-4039(96)01387-1

文献信息

• [EN] DELIVERY OF TARGET SPECIFIC NUCLEASES<br/>[FR] ADMINISTRATION DE NUCLÉASES SPÉCIFIQUES À UNE CIBLE
  申请人：SANGAMO THERAPEUTICS INC

  公开号：WO2018107026A1

  公开（公告）日：2018-06-14

  Described herein are lipid nanoparticles comprising cationic lipids and other lipids and also comprising engineered nucleases facilitate transfer of nucleic acids to cells.

  本发明描述了包含阳离子脂质和其他脂质的脂质纳米颗粒，以及包含工程核酸酶以促进核酸向细胞的转移。
• [EN] LIPID DELIVERY OF THERAPEUTIC AGENTS TO ADIPOSE TISSUE<br/>[FR] ADMINISTRATION LIPIDIQUE D'AGENTS THÉRAPEUTIQUES AU TISSU ADIPEUX
  申请人：ACUITAS THERAPEUTICS INC

  公开号：WO2018191719A1

  公开（公告）日：2018-10-18

  A method of treating a disease mediated by protein expression in adipose tissue by intraperitoneally administering a composition comprising a lipid nanoparticle encapsulating or associated with a therapeutic agent (e.g., a nucleic acid), thereby delivering the therapeutic agent to adipose tissue of the subject and altering protein expression in the adipose tissue is provided herein. A method for delivering a therapeutic agent to adipose tissue of a subject in need thereof is also provided.

  本发明提供了一种治疗由脂肪组织中蛋白质表达介导的疾病的方法，通过腹膜内给药一种包含脂质纳米粒的制剂，该脂质纳米粒封装或与治疗剂（例如，核酸）相关联，从而将治疗剂递送到受试者的脂肪组织并改变脂肪组织中的蛋白质表达。本发明还提供了一种将治疗剂递送到需要治疗的受试者脂肪组织的方法。
• Molecular structural requirements, dye specificity, and application of anionic peptide amphiphiles that induce intense fluorescence in cationic dyes
  作者：Hiroshi Hachisako、Naoya Ryu、Ryoichi Murakami

  DOI：10.1039/b818206j

  日期：——

  acid with relatively shorter side-chain methylenes. The dye specificity in terms of induction of the intense fluorescence was also investigated using hemicyanines (stilbazoliumetc.), cyanine, carbocyanine, thiacarbocyanines, and azo dye. The amphiphile with the shortest octanoyl-β-alanyl double-chain alkyl groups, longer side-chain, and shorter spacer was found to show increased sensitivity to alkali

  我们以前曾报道过，能够在分子间形成三氢键的双链阴离子两亲物可能在水中形成极疏水的位点。 水特别是掺入了基于噻唑鎓的紧凑型半花青染料作为单体物质，从而导致染料中强烈的荧光发射。本文研究了强荧光诱导两亲物的结构要求。注意到将β-Ala残基引入两个长链烷基基团对于衍生自的两亲物最有效L-谷氨酸具有相对较短的侧链亚甲基。还使用半花菁（stilbazolium等），花菁，碳花菁，硫代碳菁和偶氮染料研究了染料在诱导强荧光方面的特异性。发现具有最短的辛酰基-β-丙氨酰基双链烷基，侧链较长和间隔基较短的两亲物显示出对碱金属离子，特别是Li +的敏感性增加。这可能是Li +的潜在OFF-ON型荧光传感器。
• Histone deacetylase inhibitors and methods of use thereof
  申请人：Kozikowski P. Alan

  公开号：US20050032831A1

  公开（公告）日：2005-02-10

  One aspect of the invention relates to HDAC inhibitors. Methods of sensitizing a cancer cell to the cytotoxic effects of radiotherapy are also provided. The invention also provides methods for treating cancer and methods for treating neurological diseases. Additionally, the invention further provides pharmaceutical compositions comprising an HDAC inhibitor of the invention, and kits comprising a container containing an HDAC inhibitor of the invention.

  这项发明的一个方面涉及HDAC抑制剂。还提供了一种使癌细胞对放疗的细胞毒作用敏感的方法。该发明还提供了治疗癌症和治疗神经疾病的方法。此外，该发明还提供了包含该发明的HDAC抑制剂的药物组合物，以及包含一个容器，其中含有该发明的HDAC抑制剂的试剂盒。
• [EN] LIPIDS FOR USE IN LIPID NANOPARTICLE FORMULATIONS<br/>[FR] LIPIDES DESTINÉS À ÊTRE UTILISÉS DANS DES FORMULATIONS DE NANOPARTICULES LIPIDIQUES
  申请人：ACUITAS THERAPEUTICS INC

  公开号：WO2019036000A1

  公开（公告）日：2019-02-21

  Compounds are provided having the following structure (I) or a pharmaceutically acceptable salt, tautomer or stereoisomer thereof, wherein R1a, R1b, R2a, R2b, R3a, R3b, R4a, R4b, R5, R6, R7, R8, L1, L2, G1, G2, G3, a, b, c and d are as defined herein. Use of the compounds as a component of lipid nanoparticle formulations for delivery of a therapeutic agent, compositions comprising the compounds and methods for their use and preparation are also provided.

  提供具有以下结构（I）或其药学上可接受的盐、互变异构体或立体异构体的化合物，其中R1a、R1b、R2a、R2b、R3a、R3b、R4a、R4b、R5、R6、R7、R8、L1、L2、G1、G2、G3、a、b、c和d如本文所定义。还提供了将这些化合物用作脂质纳米粒子配方的组分以传递治疗剂、包含这些化合物的组合物以及其使用和制备方法。