D-果糖-1-磷酸钡盐 | 309964-23-6

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 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: D-果糖-1-磷酸钡盐
• 中文别名: 4-(4'-甲酰基-3'-甲氧基)苯氧基丁酸
• 英文名称: 4-(4-formyl-3-methoxy-phenoxy)-butyric acid
• 英文别名: 4-(4'-formyl-3'-methoxyphenoxy)butanoic acid；4-(4'-formyl-3'-methoxy)phenoxybutyric acid；4-(4'-formyl-3'-methoxyphenoxy)butyric acid；4-(4-formyl-3-methoxyphenoxy)butanoic acid；4-(4-formyl-3-methoxyphenoxy)butyric acid；FMPB
• CAS: 309964-23-6
• 化学式: C₁₂H₁₄O₅
• mdl: MFCD01317807
• 分子量: 238.24
• InChiKey: RHQAFYIBBWZTOI-UHFFFAOYSA-N

物化性质

• 沸点：
  461.5±35.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2918990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(4-Formyl-3-methoxy-phenoxy)-butyric 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-(4-Formyl-3-methoxy-phenoxy)-butyric acid
CAS number: 309964-23-6

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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: C12H14O5
Molecular weight: 238.2

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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

反应信息

• 作为反应物：
  描述：

  D-果糖-1-磷酸钡盐 在 N,O-双三甲硅基乙酰胺 、 三乙酰氧基硼氢化钠 作用下， 以 1,4-二氧六环 、 1,2-二氯乙烷 为溶剂， 反应 14.0h， 生成 4-[4-[[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]methyl]-3-methoxyphenoxy]butanoic acid
  参考文献：
  名称：

  制备与树脂结合的仲胺的另一种方法

  摘要：

  通过对酸不稳定的连接子连接的树脂结合仲胺的合成遇到困难，这鼓励我们采用另一种方法。报道了一种用于Fmoc保护的胺/接头构建体的一锅法可扩展程序。这些化合物可以有效地与固体载体偶联，并用于羧酰胺和磺酰胺的合成。该方法的优点是消除了与烷氧基苯甲醛树脂的可变性有关的问题，使固相还原胺化中遇到的困难最小化，以及量化了仲胺树脂负载量的方法。

  DOI：

  10.1016/s0040-4039(02)00569-5
• 作为产物：
  描述：

  4-(3-ethoxycarbonylpropyloxy)-2-methoxy-benzaldehyde 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以94 %的产率得到D-果糖-1-磷酸钡盐
  参考文献：
  名称：

  使用二烷氧基苯甲醛接头的酰肼介导的难溶性肽增溶策略

  摘要：

  已证明用人工部分（如荧光团或亲和标签）以受控方式修饰的蛋白质是蛋白质功能或结构分析的有力工具。制备具有明确修饰的蛋白质的可靠方法是蛋白质合成。尽管已经报道了许多成功的合成，但是合成中间体的水溶性差导致蛋白质的化学合成困难。在这里，我们描述了一种难溶性肽的增溶策略，该策略使用亲水性标签化学选择性掺入肽中的酰肼上。我们发现具有二烷氧基苯甲醛部分的亲水标签可以通过还原N与肽酰肼反应-烷基化。该反应不需要保护基团，以这种方式修饰的肽在 HPLC 纯化过程中显示出更高的溶解度和良好的峰分离。随后可以通过用三氟乙酸处理去除标签以产生游离酰肼，其可以在一锅反应中转化为硫酯以进行进一步修饰。该方法通过合成 Lys 63连接的泛素二聚体衍生物得到验证。这种后期增溶作用原则上可以应用于任何肽，并开启了合成以前由于溶解度差而被认为无法获得的蛋白质的可能性。 全尺寸图像

  DOI：

  10.1248/cpb.c22-00501
• 作为试剂：
  描述：

  [2-[2-(Fmoc-氨基)乙氧基]乙氧基]乙酸 、 在 1-羟基苯并三唑 、 D-果糖-1-磷酸钡盐 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 9H-fluoren-9-ylmethyl N-[3-[3-[[2-[2-[2-[[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]propylamino]-3-oxopropyl]carbamate
  参考文献：
  名称：

  Novel preloaded resins for solid-phase biotinylation of carboxylic acids

  摘要：

  Use of solid-phase synthesis for the derivatization of carboxylic acids with biotinylated spacers consisting of ethylenoxy units is described. An aminomethylated resin provided with an acid-labile aldehyde linker is used as the polymer support and three different systems with a reactive amino group are introduced. Acylation of each system was tested with a set of model carboxylic acids and afforded crude products of excellent purity. The preloaded resins are similar to the Biotin-PEG-NovaTagTM resin but offer several advantages including simple elongation of the spacer arm. The protocols described represent a very efficient way of modifying compounds to obtain ligands for affinity chromatography studies. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.115

文献信息

• Aryl and biaryl piperidines with MCH modulatory activity
  申请人：PHARMACOPEIA, INC.

  公开号：US20030013720A1

  公开（公告）日：2003-01-16

  In one embodiment, this invention provides a novel class of compounds as antagonists of the MCH receptor, methods of preparing such compounds, pharmaceutical compositions containing one or more of the compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention or amelioration or one or more of diseases associated with the MCH receptor. An illustrative inventive compound is shown below: 1

  在一个实施例中，这项发明提供了一类新型化合物，作为MCH受体的拮抗剂，包括制备这类化合物的方法，含有一种或多种这类化合物的药物组合物，制备包含一种或多种这类化合物的药物配方的方法，以及治疗、预防或改善与MCH受体相关的一种或多种疾病的方法。下面展示了一个说明性的创新化合物： 1
• Quinolines useful in treating cardiovascular disease
  申请人：Collini D. Michael

  公开号：US20050131014A1

  公开（公告）日：2005-06-16

  This invention provides compounds of formula I that are useful in the treatment or inhibition of LXR mediated diseases.

  本发明提供了式I化合物的用途，它们在治疗或抑制LXR介导的疾病中是有用的。
• Pyrimidine derivatives as IL-8 receptor antagonists
  申请人：——

  公开号：US20040087601A1

  公开（公告）日：2004-05-06

  Compounds containing the pyrimidine nucleus and their use to treat diseases and conditions related to inappropriate Interleukin-8 receptor activity are disclosed. The compounds are of the formula I 1 In these compounds, Q is preferably unsubstituted and substituted heterocyclyl; U is usually hydrogen or fluorine; and V is preferably hydrogen, halogen, alkyl, —O—alkyl or —S-alkyl. A representative example is: 2

  含有嘧啶核的化合物及其用于治疗与不适当的白细胞介素-8受体活性相关的疾病和症状的用途已被披露。这些化合物的结构式为I 1 在这些化合物中，Q最好是未取代或取代的杂环烷基；U通常是氢或氟；V最好是氢、卤素、烷基、—O—烷基或—S-烷基。一个代表性的例子是： 2
• Aryl and biaryl compounds having MCH modulatory activity
  申请人：SCHERING CORPORATION

  公开号：US20030092715A1

  公开（公告）日：2003-05-15

  In one embodiment, this invention provides a novel class of compounds as antagonists of the MCH receptor, methods of preparing such compounds, pharmaceutical compositions containing one or more of the compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention or amelioration or one or more of diseases associated with the MCH receptor. An illustrative inventive compound is shown below: 1

  本发明的其中一个实施例提供了一类新颖的化合物，作为MCH受体的拮抗剂，制备这类化合物的方法，包含一个或多个此类化合物的药物组合物，制备包含一个或多个此类化合物的药物制剂的方法，以及治疗、预防或改善与MCH受体相关的一个或多个疾病的方法。下面展示了一个说明性的创新化合物：1
• Bradykin B1receptor antagonists
  申请人：PHARMACOPEIA, INC.

  公开号：US20030229092A1

  公开（公告）日：2003-12-11

  Bradykinin B 1 -receptor antagonists of formula 1 are disclosed. The compounds are useful for treating diseases associated with inappropriate bradykinin receptor activity, such as diabetic vasculopathy, inflammation, pain, hyperalgesia, asthma, rhinitis, septic shock, atherosclerosis and multiple sclerosis. Pyrimidines, triazines, and anilines in which Q is imidazolyl or pyrrolyl are particularly preferred.

  Bradykinin B1受体拮抗剂的化学式1已被披露。这些化合物可用于治疗与不当的激肽酶受体活性相关的疾病，如糖尿病血管病变、炎症、疼痛、过敏症、哮喘、鼻炎、脓毒性休克、动脉粥样硬化和多发性硬化等。特别偏爱嘧啶、三嗪和苯胺类化合物，其中Q为咪唑基或吡咯基。