3-(2-羟基乙氧基)丙酸叔丁酯 | 671802-00-9

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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: 3-(2-羟基乙氧基)丙酸叔丁酯
• 中文别名: 羟基-PEG1-叔丁酯
• 英文名称: tert-butyl 3-(2-hydroxyethoxy)propanoate
• CAS: 671802-00-9
• 化学式: C₉H₁₈O₄
• 分子量: 190.24
• InChiKey: ACWLDITVZGWIKA-UHFFFAOYSA-N

物化性质

• 沸点：
  274.0±15.0 °C(Predicted)
• 密度：
  1.031±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 储存条件：
  存放在2-8℃环境中，应保持干燥并密封。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: tert-Butyl 3-(2-hydroxyethoxy)propanoate
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: tert-Butyl 3-(2-hydroxyethoxy)propanoate
CAS number: 671802-00-9

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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: C9H18O4
Molecular weight: 190.2

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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.

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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

Hydroxy-PEG1-(CH2)2-Boc是一种PROTAC连接子，属于PEG类，可用于合成PROTAC分子。

反应信息

• 作为反应物：
  描述：

  3-(2-羟基乙氧基)丙酸叔丁酯 在 吡啶 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 生成 醛基-一聚乙二醇-丙酸叔丁酯
  参考文献：
  名称：

  具有KRAS-SOS1抑制或降解活性的嵌合化合物及其用途

  摘要：

  本发明提供一系列SOS1靶点抑制/降解嵌合化合物，其制备方法及制药用途，所述的化合物能用于治疗或预防KRAS‑SOS1介导的疾病及相关疾病。

  公开号：

  CN116768858A
• 作为产物：
  描述：

  丙烯酸叔丁酯 、 乙二醇 在 sodium 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以24%的产率得到3-(2-羟基乙氧基)丙酸叔丁酯
  参考文献：
  名称：

  新型杂双功能异氰酸酯交联剂的合成及其在制备 10-羟基喜树碱和 SN-38 与黑色素转铁蛋白 P97 偶联物中的应用

  摘要：

  摘要 通过将单官能化 PEG 与 1,6-二异氰酸根合己烷偶联，以高收率合成了具有异氰酸根合基团、受保护的羧基和线性链间隔基的新型异双官能交联剂。这些接头的异氰酸根基具有高反应性，是在温和条件下与 10-羟基喜树碱和 SN-38 的羟基偶联的有效试剂，为合成它们与蛋白质（如黑铁转铁蛋白 p97）的生物偶联物提供有用的前体。

  DOI：

  10.1080/10426910701319928

文献信息

• [EN] PROSTATE-SPECIFIC MEMBRANE ANTIGEN ANTIBODY DRUG CONJUGATES<br/>[FR] CONJUGUÉS ANTICORPS-MÉDICAMENT D'ANTIGÈNE MEMBRANAIRE SPÉCIFIQUE À LA PROSTATE
  申请人：AMBRX INC

  公开号：WO2013185117A1

  公开（公告）日：2013-12-12

  This invention relates to prostate-specific membrane antigen (PSMA) antibodies and antibody drug conjugates comprising at least one non-naturally-encoded amino acid. Disclosed herein are αPSMA antibodies with one or more non-naturally encoded amino acids and further disclosed are antibody drug conjugates wherein the αPSMA antibodies of the invention are conjugated to one or more toxins. Also disclosed herein are non-natural amino acid dolastatin analogs that are further modified post-translationally, methods for effecting such modifications, and methods for purifying such dolastatin analogs. Typically, the modified dolastatin analogs include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group. Further disclosed are methods for using such non-natural amino acid antibody drug conjugates, dolastatin analogs, and modified non-natural amino acid dolastatin analogs, including therapeutic, diagnostic, and other biotechnology uses.

  本发明涉及前列腺特异性膜抗原（PSMA）抗体及包含至少一个非天然编码氨基酸的抗体药物偶联物。公开了具有一个或多个非天然编码氨基酸的αPSMA抗体，以及进一步公开了抗体药物偶联物，其中本发明的αPSMA抗体与一个或多个毒素偶联。还公开了非天然氨基酸多拉司汀类似物，这些类似物在翻译后进一步修饰，以及实现这些修饰的方法和纯化这些多拉司汀类似物的方法。通常，修饰的多拉司汀类似物包括至少一个肟、羰基、二羰基和/或羟基胺基团。进一步公开了使用此类非天然氨基酸抗体药物偶联物、多拉司汀类似物和修饰的非天然氨基酸多拉司汀类似物的方法，包括治疗、诊断和其他生物技术用途。
• Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof
  申请人：XDCEXPLORER (SHANGHAI) CO., LTD.

  公开号：US10449258B2

  公开（公告）日：2019-10-22

  Disclosed are an antibody drug conjugate IB, which uses ether linkages for connection, and improves the water solubility, stability and cytotoxicity in vivo and in intro, and an intermediate, a pharmaceutical composition, and uses of the antibody drug conjugate. The antibody drug conjugate has simple synthetic steps and a high yield.

  披露了一种抗体药物偶联物IB，它使用醚键连接，提高了体内和体外的水溶性、稳定性和细胞毒性，以及一种中间体、药物组合物和抗体药物偶联物的用途。该抗体药物偶联物具有简单的合成步骤和高产率。
• PYRIDAZINONES AS PARP7 INHIBITORS
  申请人：Ribon Therapeutics Inc.

  公开号：US20190330194A1

  公开（公告）日：2019-10-31

  The present invention relates to pyridazinones and related compounds which are inhibitors of PARP7 and are useful in the treatment of cancer.

  本发明涉及吡啶并嗪酮和相关化合物，它们是PARP7的抑制剂，并且在癌症治疗中很有用。
• Synthesis of Cyclic and Acyclic Nucleoside Phosphonates and Sulfonamides Derived from 6‐(Thiophen‐2‐yl)‐7‐fluoro‐7‐deazapurine
  作者：Vincent Malnuit、Sabina Smoleń、Michal Tichý、Lenka Poštová Slavětínská、Michal Hocek

  DOI：10.1002/ejoc.201900509

  日期：2019.9

  Ribonuclosides derived from 6‐hetaryl‐7‐dezapurines are potent cytostatics, but their mechanism of action is unknown. Here we designed and synthesized a series of cyclic and acyclic nucleoside phosphonates, as well as carboxy, cyano, sulfo, and sulfonamide acyclic analogues derived from 6‐thiophen‐2‐yl‐7‐deazapurine and 7‐fluoro‐6‐thiophen‐2‐yl‐7‐deazapurine as ribonucleoside monophosphate mimics.

  衍生自6-杂芳基-7-十氮嘌呤的核糖核苷是有效的细胞抑制剂，但其作用机理尚不清楚。在这里，我们设计并合成了一系列环状和无环核苷膦酸酯，以及衍生自6-噻吩-2-yl-7-七氮杂嘌呤和7-氟-6-噻吩-2的羧基，氰基，磺基和磺酰胺无环类似物-7-基-7-脱氮嘌呤为核糖核苷单磷酸酯模拟物。这些类似物均未表现出明显的细胞毒性和抗病毒活性。
• [EN] BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF<br/>[FR] AGENTS DE DÉGRADATION BIFONCTIONNELS DE KINASES ASSOCIÉES AU RÉCEPTEUR DE L'INTERLEUKINE-1 ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：NURIX THERAPEUTICS INC

  公开号：WO2021168197A1

  公开（公告）日：2021-08-26

  The present disclosure provides bifunctional compounds as IRAK4 degraders via ubiquitin proteasome pathway, and method for treating diseases modulated by IRAK4.

  本公开提供了通过泛素蛋白酶体途径作为IRAK4降解剂的 bifunctional化合物，以及用于治疗受IRAK4调节的疾病的方法。