3-甲氧基-4-丙氧基苯甲酸 | 3535-32-8

• 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: 3-甲氧基-4-丙氧基苯甲酸
• 中文别名: 3-甲氧基-4-丙氧基-苯甲酸
• 英文名称: 4-n-propoxy-3-methoxybenzoic acid
• 英文别名: 3-methoxy-4-propoxybenzoic acid；3-methoxy-4-propoxy-benzoic acid；3-Methoxy-4-propoxy-benzoesaeure；3-Methoxy-4-propyloxy-benzoesaeure；Propylaethervanillinsaeure
• CAS: 3535-32-8
• 化学式: C₁₁H₁₄O₄
• mdl: MFCD03658025
• 分子量: 210.23
• InChiKey: PYAZCFCEURLPSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2918990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Methoxy-4-propoxybenzoic 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: 3-Methoxy-4-propoxybenzoic acid
CAS number: 3535-32-8

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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: C11H14O4
Molecular weight: 210.2

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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：

  3-甲氧基-4-丙氧基苯甲酸 在 barytes 作用下， 生成 1-methoxy-2-n-propoxybenzene
  参考文献：
  名称：

  Are the favorable outcomes of splenectomy predictable inpatients with idiopathic thrombocytopenic purpura (ITP)?

  摘要：

  Background Historically, splenectomy has been an accepted procedure in the management of immune thrombocytopenic purpura (ITP). However, it is also true that the response to splenectomy in patients with ITP seems to be unpredictable. Therefore, the purpose of this study was to identify clinical variables that might predict a favorable response to splenectomy in patients with ITP.Methods: Data were collected retrospectively for 40 adult patients with ITP who underwent laparoscopic (LS) and open (OS) splenectomy at Emory University Hospital between 1992 and 1999. Demographics and outcomes were recorded. Age, sex, disease duration, comorbidities (ASA > 2), previous response to steroids and/or other medications, and preoperative platelet count were analyzed by univariate (t-test, Fisher's exact test) and multivariate statistical methods.Results: Of the 20 patients in each group, improved platelet counts were noted in 18 patients in the LS group and 20 patients (100%) in the OS group. Follow-up (16 +/- 3 months,) was obtained in 19 LS patients (95%) and 16 OS patients (80%), with 84% and 87.5% sustained response rates, respectively. After univariate analysis, two variables (age and disease duration) were found to be significantly related to the outcome of splenectomy (p < 0.01). However, after multiple logistic regression analysis, only disease duration (relative risk = 1.083; Cl, 1.004-1.167) was an independent prognostic factor for a sustained response to splenectomy.Conclusion: These results suggest that the response to splenectomy (laparoscopic and open) in patients with ITP cannot be adequately predicted on the basis of presplenectomy clinical variables. However, disease duration and patient age should be taken into consideration when selecting patients for splenectomy.

  DOI：

  10.1007/s00464-001-8154-2
• 作为产物：
  描述：

  香草酸甲酯 在 potassium carbonate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 3-甲氧基-4-丙氧基苯甲酸
  参考文献：
  名称：

  VU6010608，来自一系列N-（2-（1 H -1,2,4-三唑-1-基）-5-（三氟甲氧基）苯基）苯甲酰胺的新型mGlu 7 NAM

  摘要：

  在这里，我们报告一系列基于N-（2-（1 H -1,2,4-三唑-1-基）-5-（三氟甲氧基）苯基）苯甲酰胺核心的mGlu 7 NAM中的结构活性关系具有出色的CNS渗透性（K p 1.9-5.8和K p，uu 0.4-1.4）。该系列中的类似物显示出陡峭的SAR。其中，VU6010608（11a）在阻断电生理研究中的高频刺激的长期增强作用方面表现出强大的功效。

  DOI：

  10.1021/acsmedchemlett.7b00429

文献信息

• [EN] PHOSPHOINOSITIDE 3-KINASE (PI3K) INHIBITORS<br/>[FR] INHIBITEURS DE PHOSPHOINOSITIDE 3-KINASE (PI3K)
  申请人：UNIV MONASH

  公开号：WO2014005182A1

  公开（公告）日：2014-01-09

  The invention relates to compounds, and uses of the compounds, that are inhibitors of the enzyme phosphoinositide 3-kinase (PI3K). More particularly the compounds are selective inhibitors of one or more isoforms of PI3K. In particular embodiments the compounds are selective inhibitors of one isoform of PI3K.

  这项发明涉及一种抑制酶磷脂酰肌醇3-激酶（PI3K）的化合物及其用途。更具体地说，这些化合物是PI3K的一个或多个亚型的选择性抑制剂。在特定实施例中，这些化合物是PI3K的一个亚型的选择性抑制剂。
• [EN] S1P RECEPTORS MODULATORS AND THEIR USE THEREOF<br/>[FR] MODULATEURS DES RÉCEPTEURS S1P ET LEUR UTILISATION
  申请人：AKAAL PHARMA PTY LTD

  公开号：WO2010043000A1

  公开（公告）日：2010-04-22

  The invention relates to novel compounds that have S1P receptor modulating activity. Further, the invention relates to a pharmaceutical comprising at least one compound of the invention for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression, for example, autoimmune response. A further aspect of the invention relates to the use of a pharmaceutical comprising at least one compound of the invention for the manufacture of a medicament for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression such as autoimmune response.

  这项发明涉及具有S1P受体调节活性的新化合物。此外，该发明涉及包括本发明中至少一种化合物的药物，用于治疗由不当的S1P受体调节活性或表达引起或相关的疾病和/或病况，例如自身免疫反应。该发明的另一个方面涉及使用包括本发明中至少一种化合物的药物制造药物，用于治疗由不当的S1P受体调节活性或表达引起或相关的疾病和/或病况，如自身免疫反应。
• Heteroaryl Compounds and Their Uses
  申请人：Barsanti Paul A.

  公开号：US20110028492A1

  公开（公告）日：2011-02-03

  The present invention provides a compound of formula (I): and pharmaceutically acceptable salts, enantiomers, stereoisomers, rotamers, tautomers, diastereomers, or racemates thereof. Also provided is a method of treating a disease or condition mediated by CDK9.

  本发明提供了一种化合物，其化学式为(I)： 以及其药学上可接受的盐、对映体、立体异构体、转型异构体、互变异构体、顺反异构体或混合物。还提供了一种治疗由CDK9介导的疾病或症状的方法。
• [EN] PHENYL-HETEROARYL AMINE COMPOUNDS AND THEIR USES<br/>[FR] COMPOSÉS PHÉNYL-HÉTÉROARYL AMINE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2012066065A1

  公开（公告）日：2012-05-24

  The present invention provides a compound of formula (I): and pharmaceutically acceptable salts, enantiomers, stereoisomers, rotamers, tautomers, diastereomers, or racemates thereof. Also provided are methods of treating a disease or condition mediated by CDK9 using the compounds of Formula I, and pharmaceutical compositions comprising such compounds.

  本发明提供了一种化合物，其化学式为（I）：及其药用可接受的盐、对映体、立体异构体、转型异构体、互变异构体、二对映异构体或混合物。还提供了使用化合物I的方法来治疗由CDK9介导的疾病或症状，以及包含这些化合物的药物组合物。
• [EN] 3-(AMINOARYL)-PYRIDINE COMPOUNDS<br/>[FR] COMPOSÉS 3-(AMINOARYL)-PYRIDINE
  申请人：NOVARTIS AG

  公开号：WO2012066070A1

  公开（公告）日：2012-05-24

  The present invention provides a compound of formula (I): and pharmaceutically acceptable salts, enantiomers, stereoisomers, rotamers, tautomers, diastereomers, or racemates thereof. Also provided are pharmaceutical compositions containing these compounds and methods of treating a disease or condition mediated by CDK9 using these compounds and compositions.

  本发明提供了一种化合物，其化学式为（I）：以及药学上可接受的盐、对映体、立体异构体、转型异构体、互变异构体、二对映异构体或外消旋体。还提供了含有这些化合物的药物组合物，以及使用这些化合物和组合物治疗通过CDK9介导的疾病或症状的方法。