3,-羟基联苯-4-甲酸 | 220950-35-6

• 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,-羟基联苯-4-甲酸
• 中文别名: -羟基联苯-4-甲酸；3'-羟基联苯-4-甲酸；3’-羟基联苯-4-甲酸；3’-羟基联苯-4-羧酸；4-(3-羟苯基)苯甲酸
• 英文名称: 3'-Hydroxybiphenyl-4-carboxylic Acid
• 英文别名: 3'-hydroxy-[1,1'-biphenyl]-4-carboxylic acid；3'-hydroxy-biphenyl-4-carboxylic acid；4-(3-hydroxyphenyl)benzoic acid
• CAS: 220950-35-6
• 化学式: C₁₃H₁₀O₃
• 分子量: 214.221
• InChiKey: QYJXLCAJAZHPGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3’-Hydroxybiphenyl-4-carboxylic 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’-Hydroxybiphenyl-4-carboxylic acid
CAS number: 220950-35-6

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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.
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: C13H10O3
Molecular weight: 214.2

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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：

  重氮甲烷 、 3,-羟基联苯-4-甲酸 以 乙醚 为溶剂， 生成 4-(3-羟苯基)苯甲酸甲酯
  参考文献：
  名称：

  Non-nucleoside reverse transcriptase inhibitors

  摘要：

  通过式I表示的化合物：其中R2从H、(C1-4)烷基、卤素、卤代烷基、OH、(C1-6)烷氧基、NH(C1-4烷基)或N(C1-4烷基)2的组中选择；R4为H或Me；R5为H或Me；R11为H、(C1-4)烷基、(C3-4)环烷基和(C1-4)烷基-(C3-4)环烷基；A为(C1-3)烷基的连接链；B为O或S；n为0或1；其中当n为0时：环C为具有1至4个来自O、N和S的杂原子的6-或10-成员芳基或5-或6-成员杂环，所述芳基和所述杂环可选地被取代；E为CONR12R13；CONHNR14R15；NR16COR17；NR18SO2(C1-6)烷基；SO2NR19R20；或SO2R21；或当n为1时：环C如上定义，E为单键或连接基；和环D为具有1至4个来自O、N和S的杂原子的6-或10-成员芳基或5-或6-成员杂环，所述芳基和所述杂环可选地被1至5个取代基取代；或其盐或前药作为HIV逆转录酶的抑制剂。

  公开号：

  US20040006071A1
• 作为产物：
  描述：

  3-甲酰基(1,1-联苯)-4-羧酸 在 间氯过氧苯甲酸 、 potassium hydroxide 作用下， 以 二氯甲烷 、 甲醇 、 水 为溶剂， 反应 1.0h， 以28 mg的产率得到3,-羟基联苯-4-甲酸
  参考文献：
  名称：

  联苯-4-羧酸及其衍生物（即4-苯基水杨酸和5-苯基水杨酸）的光芬顿选择性和光催化羟基化反应

  摘要：

  使用部分TiO 2介导的光催化降解和光芬顿条件，确定了4-苯基苯甲酸，4-苯基水杨酸和5-苯基水杨酸的远端羟基化的选择性。结合位点与被羟基化的苯基的这种分离可以减少偏倚的评估。假定4-羧基苯基是一个略微吸电子的取代基，则羟基化区域化学反应的性质与亲电反应的定性一致。由于电子需求的逆转，同时吸附到TiO 2上，使4-和5-苯基水杨酸中远端苯基的羟化选择性逆转假定这两个结构的表面相似。版权所有©2011 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/poc.1839

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP)<br/>[FR] PETITES MOLÉCULES INHIBITRICES DU PORE DE TRANSITION DE PERMÉABILITÉ MITOCHONDRIALE (MTPTP)
  申请人：UNIV KANSAS

  公开号：WO2016073633A1

  公开（公告）日：2016-05-12

  The present technology relates to compounds of any one of Formula I, II, IIa, III, IV, and/or V as described herein and their tautomers and/or pharmaceutically acceptable salts, compositions, and methods of uses thereof.

  目前的技术涉及到本文描述的任一式I、II、IIa、III、IV和/或V的化合物，以及它们的互变异构体和/或药用盐、组合物以及使用方法。
• Amidocarboxylic acid derivatives
  申请人：Sankyo Company, Limited

  公开号：US06528525B1

  公开（公告）日：2003-03-04

  Amidocarboxylic acid derivatives of the formula: wherein R1 represents a hydrogen atom, etc.; R2 represents an alkylene group; R3 represents a hydrogen atom, etc.; R4 represents a hydrogen atom, etc.; X represents a substituted or unsubstituted aryl group, etc.,; Y represents an oxygen atom, etc.; Z represents an alkylene group, etc.; and W represents an alkyl group, etc.; and pharmacologically acceptable salts thereof and pharmacologically acceptable esters thereof are useful as the active ingredient of pharmaceutical compositions. They may be used to treat specified diseases, including diabetes mellitus, hyperlipemia, arteriosclerosis, hypertension, etc.

  公式为：其中R1代表氢原子，等等；R2代表烷基团；R3代表氢原子，等等；R4代表氢原子，等等；X代表取代或未取代的芳基团，等等；Y代表氧原子，等等；Z代表烷基团，等等；W代表烷基团，等等；以及其药理学上可接受的盐和药理学上可接受的酯作为药物组合物的活性成分是有用的。它们可用于治疗特定疾病，包括糖尿病、高脂血症、动脉硬化、高血压等。
• Discovery, Synthesis, and Optimization of Diarylisoxazole-3-carboxamides as Potent Inhibitors of the Mitochondrial Permeability Transition Pore
  作者：Sudeshna Roy、Justina Šileikytė、Marco Schiavone、Benjamin Neuenswander、Francesco Argenton、Jeffrey Aubé、Michael P. Hedrick、Thomas D. Y. Chung、Michael A. Forte、Paolo Bernardi、Frank J. Schoenen

  DOI：10.1002/cmdc.201500284

  日期：2015.10

  activity against mitochondrial swelling (EC50<0.39 μM) and showed no interference on the inner mitochondrial membrane potential (rhodamine 123 uptake EC50>100 μM). This enabled the construction of a series of picomolar mtPTP inhibitors that also potently increase the calcium retention capacity of the mitochondria. Finally, the therapeutic potential and in vivo efficacy of one of the most potent analogues

  线粒体通透性转换孔（mtPTP）是一种需要Ca 2+的巨型通道，在病理条件下会导致Ca 2+释放失调和线粒体功能障碍，最终导致细胞死亡。尽管 mtPTP 是许多人类病理的潜在治疗靶点，但其作为药物靶点的潜力目前尚未实现。在这里，我们描述了围绕命中1、5- (3-羟基苯基) -N- (3,4,5-三甲氧基苯基)异恶唑-3-甲酰胺发起的优化工作，发现其对线粒体肿胀具有良好的抑制活性 (EC 50 < 0.39微米) 并显示对线粒体内膜电位没有干扰（罗丹明 123 摄取 EC 50 >100 μ M）。这使得构建一系列皮摩尔 mtPTP 抑制剂成为可能，这些抑制剂也有效地增加了线粒体的钙保留能力。最后，最有效的类似物之一N- (3-氯-2-甲基苯基)-5-(4-氟-3-羟基苯基)异恶唑-3-甲酰胺 ( 60 )的治疗潜力和体内功效是在 VI 型胶原蛋白先天性肌营养不良的生物学相关斑马鱼模型中得到验证。
• [EN] N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE N-CYCLYL-3-(CYCLYLCARBONYLAMINOMÉTHYL)BENZAMIDE EN TANT QU'INHIBITEURS DE LA RHO KINASE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012006203A1

  公开（公告）日：2012-01-12

  The present invention relates to compounds of formula (I) : and pharmaceutically acceptable salts thereof, wherein R1and R2 are various ring systems. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of Rho Kinase mediated diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及化合物的公式（I）及其药学上可接受的盐，其中R1和R2是不同的环系统。该发明还涉及包括这些化合物的药物组合物，使用这些化合物治疗Rho激酶介导的疾病和障碍的方法，制备这些化合物的方法以及在这些过程中有用的中间体。
• Amidocarboxylic acid compounds
  申请人：SANKYO COMPANY, LTD

  公开号：US20040006141A1

  公开（公告）日：2004-01-08

  Amidocarboxylic acid compounds of the formula: 1 wherein R 1 represents hydrogen or alkyl; R 2 represents alkylene; R 3 represents hydrogen, alkyl, alkoxy, alkylthio, halogen, nitro, dialkylamino, aryl, aralkyl, hydroxyl or acyl; R 4 represents hydrogen or alkyl; X represents an aryl or hetero aryl; Y represents a single bond, oxygen, sulfur or N—R 5 , wherein R 5 is hydrogen, alkyl, aliphatic acyl or aromatic acyl; Z represents alkylene; and W represents alkyl, hydroxyl, alkoxy, alkylthio, aryl, aryloxy, arylthio, aralkyl, aralkyloxy, aralkylthio, aryloxyalkyl, hetero aryl, hetero aryloxy, hetero alkylthio, heterocyclic, amino, alkylamino, N-alkyl-N-arylamino, arylamino, aralkylamino or aralkyloxycarbonylamino. The compounds are used to treat diabetes mellitus, hyperlipemia, arteriosclerosis, obesity, impaired glucose tolerance, insulin-resistant non-IGT, fatty liver, diabetic complications, gestational diabetes mellitus, polycystic ovary syndrome, atherosclerosis, arthrosteitis, rheumatic arthritis, allergic diseases, asthma, cancer, autoimmune diseases, pancreatitis and cataracts.

  公式为1的羧酸类化合物：其中R1代表氢或烷基；R2代表亚烷基；R3代表氢、烷基、烷氧基、烷硫基、卤素、硝基、二烷基氨基、芳基、芳基烷基、羟基或酰基；R4代表氢或烷基；X代表芳基或杂芳基；Y代表单键、氧、硫或N-R5，其中R5为氢、烷基、脂肪族酰基或芳香族酰基；Z代表亚烷基；W代表烷基、羟基、烷氧基、烷硫基、芳基、芳氧基、芳硫基、芳基烷基、芳基烷氧基、芳基烷硫基、芳氧基烷基、杂芳基、杂芳氧基、杂烷硫基、杂环、氨基、烷基氨基、N-烷基-N-芳基氨基、芳基氨基、芳基烷基氨基或芳基烷氧羰基氨基。这些化合物用于治疗糖尿病、高脂血症、动脉硬化、肥胖症、糖耐量受损、胰岛素抵抗非IGT、脂肪肝、糖尿病并发症、妊娠期糖尿病、多囊卵巢综合症、动脉粥样硬化、关节炎、类风湿性关节炎、过敏性疾病、哮喘、癌症、自身免疫性疾病、胰腺炎和白内障。