2-(benzylamino)-3-methylpentanoic acid | 1859-49-0

• 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
• 英文名称: 2-(benzylamino)-3-methylpentanoic acid
• 英文别名: N-benzyl-isoleucine；Bzl-Ile-OH；2-(benzylazaniumyl)-3-methylpentanoate
• CAS: 1859-49-0
• 化学式: C₁₃H₁₉NO₂
• 分子量: 221.299
• InChiKey: GPAVORZIWQTJJQ-UHFFFAOYSA-N

物化性质

• 熔点：
  256-258 °C
• 沸点：
  349.8±25.0 °C(Predicted)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990
• 储存条件：
  | 室温 |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Bzl-Ile-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: Bzl-Ile-OH
CAS number: 1859-49-0

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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: C13H19NO2
Molecular weight: 221.3

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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

N-苄基-L-异亮氨酸是一种异亮氨酸的衍生物。

反应信息

• 作为反应物：
  描述：

  2-(benzylamino)-3-methylpentanoic acid 以95%的产率得到
  参考文献：
  名称：

  RAM SIYA; SPICER L. D., TETRAHEDRON LETT., 28,(1987) N 5, 515-516

  摘要：

  DOI：
• 作为产物：
  描述：

  isoleucine 在 palladium on activated charcoal ammonium formate 作用下， 以 甲醇 为溶剂， 反应 0.13h， 以95%的产率得到2-(benzylamino)-3-methylpentanoic acid
  参考文献：
  名称：

  Rapid debenzylation of N-benzylamino derivatives to amino-derivatives using ammonium formate as catalytic hydrogen transfer agent

  摘要：

  DOI：

  10.1016/s0040-4039(00)95769-1

文献信息

• Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters
  申请人：Schmid Rudolf

  公开号：US20050272665A1

  公开（公告）日：2005-12-08

  Compounds of formula I and a process for the preparation of such compounds are disclosed.

  公开了具有I式化合物的化合物以及制备这些化合物的方法。
• Composition for the treatment of IGF-1R expressing cancer
  申请人：PIERRE FABRE MEDICAMENT

  公开号：US10858423B2

  公开（公告）日：2020-12-08

  The present invention relates to a method for the treatment of IGF-IR expressing cancers as well as to a compositions and a kit for said traitment. From one aspect, the invention relates to the combined use of a first antibody for the determination of the IGF-IR status of a cancer and a second antibody used as an ADC for the treatment of said cancer.

  本发明涉及一种治疗表达 IGF-IR 的癌症的方法以及用于所述性状的组合物和试剂盒。从一个方面来说，本发明涉及将用于确定癌症 IGF-IR 状态的第一抗体和用作治疗所述癌症的 ADC 的第二抗体联合使用。
• The Synthesis of Tenuazonic and Congeneric Tetramic Acids
  作者：Stanton A. Harris、Linda V. Fisher、Karl Folkers

  DOI：10.1021/jm00328a014

  日期：1965.7
• DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS
  申请人：PIERRE FABRE MEDICAMENT

  公开号：US20180222858A1

  公开（公告）日：2018-08-09

  The present invention concerns a compound of following formula (I): where: —R 1 is H or OH, —R 2 is a (C 1 -C 6 )alkyl, COOH, COO—((C 1 -C 6 )alkyl) or thiazolyl group, —R 3 is H or a (C 1 -C 6 )alkyl group, and —R 4 is: ▪a straight-chain or branched, saturated or unsaturated hydrocarbon group having 1 to 8 carbon atoms substituted by one or more groups chosen from among OH and NR 5 R 6 , ▪—(CH 2 CH 2 X 1 )(CH 2 CH 2 X 2 ) a2 (CH 2 CH 2 X 3 ) a3 (CH 2 CH 2 X 4 ) a4 (CH 2 CH 2 X 5 ) a5 R 7 , ▪an aryl-(C 1 -C 8 )alkyl group substituted by one or more groups chosen from among OH and NR 9 R 10 groups, or ▪a heterocycle-(C 1 -C 8 )alkyl group optionally substituted by one or more groups chosen from among (C 1 -C 6 )alkyl, OH and NR 12 R 13 groups, or a pharmaceutically acceptable salt, hydrate or solvate thereof, and its uses in particular for the treatment of cancer, pharmaceutical compositions containing the same and the preparation methods thereof.
• US7312343B2
  申请人：——

  公开号：US7312343B2

  公开（公告）日：2007-12-25