7-甲基-3-喹啉羧酸 | 948291-17-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 7-甲基-3-喹啉羧酸
• 中文别名: 7-甲基3-喹啉羧酸
• 英文名称: 7-methylquinoline-3-carboxylic acid
• CAS: 948291-17-6
• 化学式: C₁₁H₉NO₂
• mdl: MFCD09787877
• 分子量: 187.198
• InChiKey: QJHXTZODJCAGBE-UHFFFAOYSA-N

物化性质

• 沸点：
  361.8±27.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  7-甲基-3-喹啉羧酸 在 氯化亚砜 作用下， 反应 1.5h， 以100%的产率得到7-methylquinoline-3-carbonyl chloride
  参考文献：
  名称：

  [EN] ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TRPM8 MODULATORS
  [FR] DÉRIVÉS DE CARBOXAMIDE SUBSTITUÉS PAR ARYLE EN TANT QUE MODULATEURS DE TRPM8

  摘要：

  本发明提供了一种化合物，其化学式为（I）：其中A、R1、R2和R3如本文所定义，或其药学上可接受的盐。这些化合物是小分子TRPM8阻断剂，因此在预防或治疗包括寒冷痛觉异常和雷诺综合征在内的各种疾病、症状或综合征中有用。

  公开号：

  WO2012120398A1

文献信息

• [EN] HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS<br/>[FR] COMPOSÉS MODULATEURS DE FXR (NR1H4) CONTENANT DES GROUHYDROXY
  申请人：GILEAD SCIENCES INC

  公开号：WO2016096115A1

  公开（公告）日：2016-06-23

  The present invention relates to compounds (1) which bind to the NR1 H4 receptor (FXR) and act as agonists of FXR. The invention further relates to the use of the compounds (1) for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds and to a process for the synthesis of said compounds.

  本发明涉及结合NR1 H4受体（FXR）并作为FXR激动剂的化合物（1）。本发明还涉及利用这些化合物（1）制备药物以治疗疾病和/或病况，通过这些化合物结合所述核受体，并涉及这些化合物的合成过程。
• [EN] ARYLCARBOXAMIDES AND USES THEREOF<br/>[FR] ARYLCARBOXAMIDES ET LEURS UTILISATIONS
  申请人：INCEPTION 1 INC

  公开号：WO2017192304A1

  公开（公告）日：2017-11-09

  The present disclosure is directed to compounds of formula (I): or a pharmaceutically acceptable salt, solvate or solvate of the salt thereof. Compounds of formula (I) are inhibitors of NOX4 and are useful in the treatment of fibrotic diseases such as scleroderma; lung disease, such as pulmonary fibrosis including idiopathic pulmonary fibrosis (IPF); heart disease, such as heart failure due to ischaemic heart disease, valvular heart disease and hypertensive heart disease, diabetic cardiomyopathy and hypertension; liver disease, such as cirrhosis of the liver; and kidney disease, such as progressive kidney disease glomerulonephritis and diabetic nephropathy; and eye disease such as diabetic retinopathy; skin or subcutaneous scarring, such as keloids, adhesions, hypertrophic scarring or cosmetic scarring; or as an adjuvant or anti-fibrotic in pancreatic cancer to increase chemotherapeutic drug penetration by reducing the density of the connective tissue stroma.

  本公开涉及的化合物具有以下结构式（I）：或其药学上可接受的盐、溶剂或该盐的溶剂。结构式（I）的化合物是NOX4的抑制剂，可用于治疗纤维化疾病，如硬皮病；肺部疾病，如肺纤维化，包括特发性肺纤维化（IPF）；心脏疾病，如缺血性心脏病、瓣膜性心脏病和高血压性心脏病、糖尿病性心肌病和高血压；肝脏疾病，如肝硬化；肾脏疾病，如进行性肾脏疾病肾小球肾炎和糖尿病肾病；眼部疾病，如糖尿病视网膜病变；皮肤或皮下疤痕，如瘢痕、粘连、肥厚性瘢痕或美容瘢痕；或作为胰腺癌的辅助治疗或抗纤维化剂，通过减少结缔组织基质密度来增加化疗药物的渗透性。
• HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20160176861A1

  公开（公告）日：2016-06-23

  The present invention relates to compounds which bind to the NR1H4 receptor (FXR) and act as agonists of FXR. The invention further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds and to a process for the synthesis of said compounds.

  本发明涉及与NR1H4受体（FXR）结合并作为FXR激动剂的化合物。本发明进一步涉及利用这些化合物制备药物，通过这些化合物与该核受体结合治疗疾病和/或病况，以及制备这些化合物的合成过程。
• COMPOSITION FOR ANISOTROPIC DYE FILM, ANISOTROPIC DYE FILM, AND POLARIZING DEVICE
  申请人：Mitsubishi Chemical Corporation

  公开号：EP1881349A1

  公开（公告）日：2008-01-23

  The present invention provides an anisotropic dye film having a high dichroic ratio. For this reason, the present invention uses a composition for an anisotropic dye film containing an electron-deficient discotic compound and an electron-rich compound.

  本发明提供了一种各向异性染料膜，具有很高的二色性比。 为此，本发明使用了一种用于各向异性染料膜的组合物，该组合物包含一种缺电子的盘状化合物和一种富电子的化合物。
• Molecular engineering and investigation of new efficient photosensitizers/co-sensitizers based on bulky donor enriched with EDOT for DSSCs
  作者：Islam M. Abdellah、Ahmed I. Koraiem、Ahmed El-Shafei

  DOI：10.1016/j.dyepig.2019.01.035

  日期：2019.5

  Herein, we report design, synthesis and photovoltaic performance of four novel metal-free heteroaromatic photosensitizers coded IA 1-4 with (D-D)(2)-D-A architecture carrying electron donating triphenylamine coupled with EDOT core which is directly connected to four different electron withdrawing/anchoring groups, viz. rhodamine-3-acetic acid, cyano acetic acid, 2-methyl quinoline-6-carboxylic acid and 1-phenyl-pyrazol-5-one-3-carboxylic acid without any pi-spacer. The newly designed IA 1-4 were applied as sensitizers and co-sensitizers in DSSCs. Their structures were confirmed by FT-IR, H-1 NMR, MS and elemental analyses. The photosensitizers were subjected to optical and electrochemical studies in order to investigate their absorption/emission behavior as well as HOMO/LUMO energies. The UV-Vis revealed that IA 1-4 exhibited at 464, 497, 531 and 412 nm,lambda(max) respectively. Their optical band gap is in the range of 1.95-2.28 eV. From the energy level diagram of the named photosensitizer, it is clear that all the dyes have good thermodynamically favorable ground and excited state oxidation potentials for electron injection into CB edge of TiO2 as well as dye regeneration. The photovoltaic performance studies indicate that, dye IA-1 anchored with cyanoacetic acid displayed the highest IPCE (61.5%), resulting in PCE of 5.92% (J(SC) = 12.3 mA cm(-2), V-OC = 0.68 V, FF = 70.29%). Furthermore, when IA-1 was used as a co-sensitizer with MH-13, a total PCE of 8.43% (J(SC) = 22.8 mA cm(-2), V-OC = 0.66 V, FF = 54.1%) was achieved to gain more insights into the equilibrium molecular geometry (EMG), thermodynamic parameters and vertical electronic excitation, DFT studies were performed using GAUSSIAN 09 software to calculate the EMG of each photosensitizer, its and electron cloud delocalization of HOMO/LUMO levels and vertical electronic excitation. Results from FMO revealed that dyes IA 1-4 showed effective charge separation, which translated into greater ICT behavior with IA-1 being the highest in photovoltaic performance.