2-(4-fluorophenyl)-2-methoxyacetic acid | 2340-00-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-fluorophenyl)-2-methoxyacetic acid
• 英文别名: 4-Fluor-α-methoxy-phenylessigsaeure
• CAS: 2340-00-3
• 化学式: C₉H₉FO₃
• 分子量: 184.167
• InChiKey: XSSNXGQLLDQUCF-UHFFFAOYSA-N

物化性质

• 熔点：
  54-56 °C
• 沸点：
  290.7±25.0 °C(Predicted)
• 密度：
  1.272±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-fluorophenyl)-2-methoxyacetic acid 、 ethyl 6,6-dimethyl-3-[1-(trimethylsilyl)cyclobutanecarboxamido]-5,6-dihydropyrrolo[3,4-c]pyrazole-2(4H)-carboxylate 在 草酰氯 、 N,N-二异丙基乙胺 、 N,N-二甲基乙二胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以53%的产率得到N-{5-[2-(4-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-1-(trimethylsilyl)cyclobutane carboxamide
  参考文献：
  名称：

  SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND

  摘要：

  公开号：

  EP3214086B1
• 作为产物：
  描述：

  对氟扁桃酸 在 caesium carbonate 、 potassium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 53.0h， 生成 2-(4-fluorophenyl)-2-methoxyacetic acid
  参考文献：
  名称：

  [EN] 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER
  [FR] COMPOSÉS DE 1,3,4-THIADIAZOLE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER

  摘要：

  本规范涉及到式（I）的化合物及其药用盐，其中Q、R、R1和R2具有本文中定义的任何含义。本规范还涉及使用这些化合物和其盐治疗或预防GLS1介导的疾病，包括癌症。本规范还涉及到式（I）的化合物的晶型形式及其药用盐；包含这些化合物和盐的药物组合物；包括这些化合物和盐的试剂盒；制造这些化合物和盐的方法；在制造这些化合物和盐中有用的中间体；以及使用这些化合物和盐治疗GLS1激酶介导的疾病，包括癌症的方法。

  公开号：

  WO2015181539A1

文献信息

• PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS
  申请人：Cutshall Neil S.

  公开号：US20110224202A1

  公开（公告）日：2011-09-15

  Compounds that inhibit PDE10 are disclosed that have utility in the treatment of a variety of conditions, including (but not limited to) psychotic, anxiety, movement disorders and/or neurological disorders such as Parkinson's disease, Huntington's disease, Alzheimer's disease, encephalitis, phobias, epilepsy, aphasia, Bell's palsy, cerebral palsy, sleep disorders, pain, Tourette's syndrome, schizophrenia, delusional disorders, drug-induced psychosis and panic and obsessive-compulsive disorders. Pharmaceutically acceptable salts, stereoisomers, solvates and prodrugs of the compounds are also provided. Also disclosed are compositions containing a compound in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for inhibiting PDE10 in a warm-blooded animal in need of the same.

  揭示了抑制PDE10的化合物，对治疗多种疾病有用，包括（但不限于）精神病、焦虑、运动障碍和/或神经系统疾病，如帕金森病、亨廷顿病、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔氏面瘫、脑瘫、睡眠障碍、疼痛、抽动综合征、精神分裂症、妄想症、药物诱发的精神病、恐慌和强迫症。还提供了这些化合物的药用盐、立体异构体、溶剂合物和前药。还揭示了含有化合物与药用载体组合的组合物，以及与使用有关的方法，用于在需要的温血动物中抑制PDE10。
• Multi-cyclic cinnamide derivatives
  申请人：Kimura Teiji

  公开号：US20070219181A1

  公开（公告）日：2007-09-20

  The present invention provides a compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar 1 represents an imidazolyl group that may be substituted with a C1-6 alkyl group, or the like, Ar 2 represents a phenyl group that may be substituted with a C1-6 alkoxy group, or the like, X 1 represents a double bond or the like, and Het represents an imidazolyl group that may be substituted with a C1-6 alkyl group, or the like, which is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  本发明提供了一种由以下公式（I）表示的化合物或其药理学上可接受的盐，其中Ar1代表可能用C1-6烷基等取代的咪唑基团，Ar2代表可能用C1-6烷氧基等取代的苯基团，X1代表双键等，Het代表可能用C1-6烷基等取代的咪唑基团，该化合物对由Aβ引起的疾病具有治疗或预防作用。
• Microarray-guided discovery of two-photon (2P) small molecule probes for live-cell imaging of cysteinyl cathepsin activities
  作者：Zhenkun Na、Lin Li、Mahesh Uttamchandani、Shao Q. Yao

  DOI：10.1039/c2cc33476c

  日期：——

  A microarray immobilized with 105 aldehyde-containing small molecules was screened against mammalian cell lysates over-expressing cathepsin L to identify two potent inhibitors, which were subsequently converted into cell-permeable probes capable of live-cell imaging of endogenous cysteinyl cathepsin activities by two-photon fluorescence microscopy.

  针对过表达的组织蛋白酶L的哺乳动物细胞裂解物筛选了固定有105个含醛的小分子的微阵列，以鉴定出两种有效的抑制剂，随后将其转化为能够透过内源性半胱氨酸组织蛋白酶活性进行活细胞成像的细胞渗透性探针，方法是通过两种方法光子荧光显微镜。
• [EN] 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER<br/>[FR] COMPOSÉS DE 1,3,4-THIADIAZOLE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2015181539A1

  公开（公告）日：2015-12-03

  The specification relates to compounds of Formula (I), and pharmaceutically acceptable salts thereof, where Q, R, R1 and R2 have any of the meanings defined herein. The specification also relates to the use of such compounds and salts thereof to treat or prevent GLS1 mediated disease, including cancer. The specification further relates to crystalline forms of compounds of Formula (I) and pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds and salts; kits comprising such compounds and salts; methods of manufacture of such compounds and salts; intermediates useful in the manufacture of such compounds and salts; and to methods of treating GLS1 kinase mediated disease, including cancer, using such compounds and salts.

  本规范涉及到式（I）的化合物及其药用盐，其中Q、R、R1和R2具有本文中定义的任何含义。本规范还涉及使用这些化合物和其盐治疗或预防GLS1介导的疾病，包括癌症。本规范还涉及到式（I）的化合物的晶型形式及其药用盐；包含这些化合物和盐的药物组合物；包括这些化合物和盐的试剂盒；制造这些化合物和盐的方法；在制造这些化合物和盐中有用的中间体；以及使用这些化合物和盐治疗GLS1激酶介导的疾病，包括癌症的方法。
• MULTI-CYCLIC CINNAMIDE DERIVATIVES
  申请人：KIMURA Teiji

  公开号：US20100168095A1

  公开（公告）日：2010-07-01

  The present invention provides a compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar1 represents an imidazolyl group that may be substituted with a C1-6 alkyl group, or the like, Ar2 represents a phenyl group that may be substituted with a C1-6 alkoxy group, or the like, X1 represents a double bond or the like, and Het represents an imidazolyl group that may be substituted with a C1-6 alkyl group, or the like, which is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  本发明提供了一种化合物，其化学式表示为(I)：或其药学上可接受的盐，其中Ar1代表可被C1-6烷基等取代的咪唑基团，Ar2代表可被C1-6烷氧基等取代的苯基团，X1代表双键等，Het代表可被C1-6烷基等取代的咪唑基团，该化合物对由Aβ引起的疾病具有治疗或预防作用。