N-叔丁氧羰基-(4-氨基甲基苯基)乙酸 | 71420-92-3

• 物质功能分类: 生物化工 - 生化试剂 - 氨基酸
• 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: N-叔丁氧羰基-(4-氨基甲基苯基)乙酸
• 中文别名: 4-Boc-氨基甲基苯乙酸
• 英文名称: 2-(4-((tert-butoxycarbonylamino)methyl)phenyl)acetic acid
• 英文别名: Boc-4-aminomethylphenylacetic acid；2-(4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid；2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic acid
• CAS: 71420-92-3
• 化学式: C₁₄H₁₉NO₄
• 分子量: 265.309
• InChiKey: LXPQNTNSSNXGIN-UHFFFAOYSA-N

物化性质

• 沸点：
  441.5±33.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2924299090
• 危险性防范说明：
  P264,P302+P352,P304+P340,P305+P351+P338,P332+P313,P337+P313
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Boc-aminomethylphenylacetic acid
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: 4-Boc-aminomethylphenylacetic acid
CAS number: 71420-92-3

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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: C14H19NO4
Molecular weight: 265.3

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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

反应信息

• 作为反应物：
  描述：

  N-叔丁氧羰基-(4-氨基甲基苯基)乙酸 在 三异丙基硅烷 、 三氟乙酸 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以100%的产率得到4-氨基甲基苯乙酸
  参考文献：
  名称：

  [EN] METHODS OF TREATING CANCER WITH A PSMA LIGAND-TUBULYSIN COMPOUND
  [FR] MÉTHODES DE TRAITEMENT DU CANCER AVEC UN COMPOSÉ LIGAND DE PSMA-TUBULYSINE

  摘要：

  本发明涉及用于靶向治疗的药物传递共轭物。本发明涉及使用PSMA配体-图布利西素化合物治疗表达PSMA的癌症的方法。本发明还涉及在使用PSMA配体-图布利西素化合物治疗后出现稳定疾病的患者中治疗表达PSMA的癌症的方法。

  公开号：

  WO2017205447A1
• 作为产物：
  描述：

  4-溴苯乙酸甲酯 在 palladium on activated charcoal 盐酸 、 lithium hydroxide 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0 ℃ 、482.63 kPa 条件下， 生成 N-叔丁氧羰基-(4-氨基甲基苯基)乙酸
  参考文献：
  名称：

  Arylacetamide κ opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity

  摘要：

  Some K opioid receptor agonists of the arylacetamide class, for example, ICI 199441 (1), were found to strongly inhibit the activity of cytochrome P450 2D6 (CYP2D6) (1: CYP2D6 IC50 = 26 nM). Certain analogs bearing a substituted sulfonylamino group, for example, 13, were discovered to have significantly reduced CYP2D6 inhibitory activity (13: CYP2D6 IC50 > 10 mu M) while displaying high affinity toward the cloned human K opioid receptor, good kappa/delta and kappa/mu selectivity, and potent in vitro and in vivo agonist activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.020

文献信息

• [EN] CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS<br/>[FR] CONJUGUÉS POUR TRAITER LES MALADIES PROVOQUÉES PAR DES CELLULES EXPRIMANT PSMA
  申请人：ENDOCYTE INC

  公开号：WO2014078484A1

  公开（公告）日：2014-05-22

  The invention described herein pertains to the diagnosis, imaging, and/or treatment of pathogenic cell populations. In particular, the invention described herein pertains to the diagnosis, imaging, and/or treatment of diseases caused by PSMA expressing cells, such as prostate cancer cells, using compounds capable of targeting PSMA expressing cells.

  本发明涉及对病原细胞群体进行诊断、成像和/或治疗。具体来说，本发明涉及利用能够靶向PSMA表达细胞的化合物对由PSMA表达细胞引起的疾病，如前列腺癌细胞，进行诊断、成像和/或治疗。
• METHODS OF TREATING CANCER WITH A PSMA LIGAND-TUBULYSIN COMPOUND
  申请人：ENDOCYTE, INC.

  公开号：US20180036364A1

  公开（公告）日：2018-02-08

  The invention described herein pertains to drug delivery conjugates for targeted therapy. The invention described herein relates to methods of treating PSMA expressing cancers with a PSMA ligand-tubulysin compound. The invention described herein also relates to methods of treating PSMA-expressing cancers with a PSMA ligand-tubulysin compound in patients where stable disease results after treatment with the PSMA ligand-tubulysin compound.

  本发明涉及用于靶向治疗的药物传递共轭物。本发明涉及使用PSMA配体-管芋霉素化合物治疗表达PSMA的癌症的方法。本发明还涉及在接受PSMA配体-管芋霉素化合物治疗后出现稳定疾病的患者中治疗表达PSMA的癌症的方法。
• [EN] HETEROARYL-CARBOXYLIC ACIDS AS HISTONE DEMETHYLASE INHIBITORS<br/>[FR] ACIDES HÉTÉROARYL-CARBOXYLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE L'HISTONE DÉMÉTHYLASE
  申请人：ORYZON GENOMICS SA

  公开号：WO2017207813A1

  公开（公告）日：2017-12-07

  The invention relates to heteroaryl-carboxylic acids as described herein, useful as histone demethylase inhibitors. The invention also relates to pharmaceutical compositions comprising these compounds and to their use in therapy, including e.g., in the treatment of cancer.

  该发明涉及异芳基羧酸，如本文所述，作为组蛋白去甲基化酶抑制剂。该发明还涉及包含这些化合物的药物组合物，以及它们在治疗中的应用，例如用于癌症治疗。
• [EN] COMPOUNDS AND THEIR METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：AGIOS PHARMACEUTICALS INC

  公开号：WO2014079150A1

  公开（公告）日：2014-05-30

  Provided are compounds of formula (I), which can inhibit glutaminase. Pharmaceutical compositions comprising these compounds and uses as glutaminase inhibitors for treating cancers thereof are also provided.

  提供了化合物的化学式(I)，可以抑制谷氨酸酶。还提供了包含这些化合物的药物组合物，并用作抑制谷氨酸酶以治疗相关癌症的用途。
• [EN] COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES AS GLUTAMINASE INHIBITORS FOR TREATING CANCERS THEREOF<br/>[FR] COMPOSÉS, COMPOSITIONS PHARMACEUTIQUES ET UTILISATIONS DES COMPOSÉS EN TANT QU'INHIBITEURS DE GLUTAMINASE POUR LE TRAITEMENT DE CANCERS ASSOCIÉS
  申请人：AGIOS PHARMACEUTICALS INC

  公开号：WO2014079136A1

  公开（公告）日：2014-05-30

  Provided are compounds of formula (I), wherein X, Y, Z, W, m, n, o, p, R1, R2 and R6 are defined as in the description. Pharmaceutical compositions and uses as glutaminase inhibitors for treating cancers thereof are also provided.

  提供了化合物的结构式（I），其中X、Y、Z、W、m、n、o、p、R1、R2和R6的定义如描述中所述。还提供了作为谷氨酰胺酶抑制剂用于治疗癌症的药物组合物和用途。