4-(2-吗啉乙氧基)苯基硼酸频哪醇酯 | 690636-28-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(2-吗啉乙氧基)苯基硼酸频哪醇酯
• 中文别名: 4-(2-吗啉乙氧基)苯硼酸频那醇酯
• 英文名称: 4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)morpholine
• 英文别名: 4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenoxy)ethyl)morpholine；4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine
• CAS: 690636-28-3
• 化学式: C₁₈H₂₈BNO₄
• 分子量: 333.236
• InChiKey: ZHMKOJLQGMTKKB-UHFFFAOYSA-N

物化性质

• 沸点：
  456.7±40.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  40.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(2-Morpholinoethoxy)phenylboronic acid, pinacol ester
Synonyms: 4-(2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)morpholine

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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-(2-Morpholinoethoxy)phenylboronic acid, pinacol ester
CAS number: 690636-28-3

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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, refrigerated.
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: C18H28BNO4
Molecular weight: 333.2

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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
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：

  4-(2-吗啉乙氧基)苯基硼酸频哪醇酯 在 四(三苯基膦)钯 、 硫酸 、 sodium hexamethyldisilazane 作用下， 生成 KX 01; 5-[4-[2-(4-吗啉基)乙氧基]苯基]-N-(苯基甲基)-2-吡啶乙酰胺
  参考文献：
  名称：

  发现新的双重作用机制 Src 信号和微管蛋白聚合抑制剂（KX2-391 和 KX2-361）

  摘要：

  发现有效的肽定点酪氨酸激酶抑制剂仍然是一个难以实现的目标。在本文中，我们描述了两种抑制酪氨酸激酶 Src 的临床候选药物的发现。化合物1是 3 期临床试验候选药物，与现有标准疗法相比，它可能为光化性角化病 (AK) 提供一流的局部治疗，具有良好的疗效和显着更低的毒性。化合物2是一项 1 期临床试验候选药物，可能为恶性胶质母细胞瘤提供一流的治疗，并在动物模型中诱导 30% 的长期肿瘤完全缓解。这些化合物的发现策略反复利用分子建模，以及越来越详细的概念化合物证明的合成和测试，直到得出最终的临床候选药物。随后进行的作用机制 (MOA) 研究表明，微管蛋白聚合抑制是第二个 MOA。

  DOI：

  10.1021/acs.jmedchem.8b00164
• 作为产物：
  描述：

  2-吗啉乙醇 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 4-(2-吗啉乙氧基)苯基硼酸频哪醇酯
  参考文献：
  名称：

  FLT3激酶的新型抑制剂及其用途

  摘要：

  本发明提供FLT3激酶的新型抑制剂，其包括式(I)的化合物或其药学可接受的盐、溶剂化物、异构体、酯、酸、代谢物、或前药。本发明还提供包括式(I)化合物的药物组合物，以及其用于预防或治疗与FLT3相关的病症的用途和方法，特别是与突变型FLT3激酶(尤其是FLT3/ITD突变型激酶)相关的病症。

  公开号：

  CN107459521B

文献信息

• [EN] BET INHIBITORS FOR MODULATING DUX4 EXPRESSION IN FSHD<br/>[FR] INHIBITEURS DE BET POUR MODULER L'EXPRESSION DE DUX4 DANS LA FSHD
  申请人：UNIV SAINT LOUIS

  公开号：WO2020132004A1

  公开（公告）日：2020-06-25

  The present disclosure provides BET inhibitors of the formula: wherein the variables are defined herein, as well as pharmaceutical compositions thereof. The present disclosure also provides methods of treating a patient comprising administering a bromo- and extra-terminal (BET) domain inhibitor for the treatment of FSHD which modulates DUX4 expression. In some embodiments, the present methods comprise using one or more BET inhibitors as a therapeutic agent for the treatment of FSHD patients including patients who are being treated with one or more palliative treatments such as therapy and/or agents which lead to increased muscle mass.

  本公开提供了以下式的BET抑制剂：其中变量在此处定义，以及其药物组合物。本公开还提供了治疗患者的方法，包括给予溴和额外端（BET）结构域抑制剂治疗FSHD以调节DUX4表达。在某些实施例中，本方法包括使用一个或多个BET抑制剂作为FSHD患者的治疗剂，包括正在接受一种或多种缓解治疗（如治疗和/或导致肌肉增加的药物）的患者。
• Compositions and methods of treating cell proliferation disorders
  申请人：Hangauer G. David

  公开号：US20060160800A1

  公开（公告）日：2006-07-20

  The invention relates to compounds and methods for treating cell proliferation disorders.

  这项发明涉及化合物和治疗细胞增殖紊乱的方法。
• In-flow photooxygenation of aminothienopyridinones generates iminopyridinedione PTP4A3 phosphatase inhibitors
  作者：Nikhil R. Tasker、Ettore J. Rastelli、Isabella K. Blanco、James C. Burnett、Elizabeth R. Sharlow、John S. Lazo、Peter Wipf

  DOI：10.1039/c9ob00025a

  日期：——

  A continuous flow photooxygenation of 7-aminothieno[3,2-c]pyridin-4(5H)-ones to produce 7-iminothieno[3,2-c]pyridine-4,6(5H,7H)-diones has been developed, utilizing ambient air as the sole reactant. N-H Imines are formed as the major products, and excellent functional group tolerance and conversion on gram-scale without the need for chromatographic purification allow for facile late-stage diversification

  连续流光氧化7-氨基噻吩并[3,2- c ]吡啶-4（5 H）-产生7-亚氨基噻吩并[3,2 - c ]吡啶-4,6（5 H，7 H）-二酮已经开发出利用环境空气作为唯一反应物的技术。N- H亚胺形成为主要产物，并且出色的官能团耐受性和克级转化率（无需色谱纯化）可实现氨基噻吩并吡啶酮支架的简便后期分散。几种类似物在体外具有对癌症相关蛋白酪氨酸磷酸酶PTP4A3的有效抑制作用，并且SAR支持探索性对接模型。
• [EN] NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROAROMATIQUES EN TANT QUE PUISSANTS MODULATEURS DE LA VOIE DE SIGNALISATION HIPPO-YAP DES KINASES LATS1/2
  申请人：NIVIEN THERAPEUTICS COMPANY

  公开号：WO2020047037A1

  公开（公告）日：2020-03-05

  The present invention relates to novel heteroaromatic compounds of formulae (I) and (II) and pharmaceutically acceptable salts thereof. The compounds of the invention are useful as inhibitors of serine/threonine protein kinases LATS1 and LATS2. Also provided herein are processes for making compounds of formulae (I) and (II), and pharmaceutical compositions comprising the compounds of the invention. The present invention also provides methods of treating cancer with a compound of formula (I) or (II).

  本发明涉及式(I)和(II)的新异芳香化合物及其药学上可接受的盐。本发明的化合物可用作丝氨酸/苏氨酸蛋白激酶LATS1和LATS2的抑制剂。本文还提供了制备式(I)和(II)化合物的方法，以及包含本发明化合物的药物组合物。本发明还提供了使用式(I)或(II)化合物治疗癌症的方法。
• Antiinflammation agents
  申请人：Tularik Inc.

  公开号：US20040097485A1

  公开（公告）日：2004-05-20

  Compounds, compositions and methods that are useful in the treatment of inflammatory, immunoregulatory, metabolic, infectious and cell proliferative diseases or conditions are provided herein. In particular, the invention provides compounds which modulate the expression and/or function of proteins involved in inflammation, metabolism, infection and cell proliferation. The subject compounds contain a fused heterobicyclic ring.

  本文提供了在治疗炎症、免疫调节、代谢、感染和细胞增殖性疾病或状况中有用的化合物、组合物和方法。具体而言，本发明提供了调节参与炎症、代谢、感染和细胞增殖的蛋白质的表达和/或功能的化合物。所述化合物包含一个融合的异双环环。