2-氨基-5-氯-4-甲氧基苯甲酸甲酯 | 79025-26-6

• 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: 2-氨基-5-氯-4-甲氧基苯甲酸甲酯
• 英文名称: methyl 2-amino-5-chloro-4-methoxybenzoate
• 英文别名: methyl-4-methoxy-5-chloroanthranilate
• CAS: 79025-26-6
• 化学式: C₉H₁₀ClNO₃
• 分子量: 215.636
• InChiKey: FDBZAKKAQHQRLI-UHFFFAOYSA-N

物化性质

• 沸点：
  352.8±37.0 °C(Predicted)
• 密度：
  1.302±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 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：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  2-氨基-5-氯-4-甲氧基苯甲酸甲酯 在 水 、 sodium hydroxide 作用下， 以90%的产率得到2-氨基-5-氯-4-甲氧基苯甲酸
  参考文献：
  名称：

  [EN] QUINAZOLINONE COMPOUNDS
  [FR] COMPOSÉS QUINAZOLINONE

  摘要：

  揭示了新的喹唑啉酮化合物，以及含有喹唑啉酮的药物组合物和用于治疗与线粒体功能障碍相关的疾病和症状的方法。

  公开号：

  WO2020176652A1
• 作为产物：
  描述：

  5-乙酰氨基-4-甲氧基-2-硝基苯甲酸 在 盐酸 、 硫酸 、 tin(ll) chloride 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 107.5h， 生成 2-氨基-5-氯-4-甲氧基苯甲酸甲酯
  参考文献：
  名称：

  Design of photonic liquid crystal materials: synthesis and evaluation of new chiral thioindigo dopants designed to photomodulate the spontaneous polarization of ferroelectric liquid crystals

  摘要：

  由光致变色掺杂物 (R,R)-6,6′-bis(2-octyloxy)-5,5′-dinitrothioindigo 和 (R,R)-5,5′-dichloro-6,6′-bis(2-octyloxy)thioindigo 在波长 λ=514 和 532 nm 下照射，引起了铁电 S C * 液晶相自发极化 (P S ) 的增加，增幅范围从 1.4 到 4.0。P S 的这种增加是在不伴随 S C * 相不稳定化的情况下实现的，且与因顺-反光异构化导致的硫靛核心的横向偶极矩增加相一致。硫靛核心对 P S 的贡献是通过与手性侧链的立体极化耦合实现的，该耦合在硝基和氯取代基的存在下得到了增强。

  DOI：

  10.1039/a903052b

文献信息

• Alkoxy-substituted-6-chloro-quinazoline-2,4-diones
  申请人：Pfizer Inc.

  公开号：US04287341A1

  公开（公告）日：1981-09-01

  2,4-Diaminoquinazolines of the formula ##STR1## wherein Y.sup.1 is hydrogen or chloro, Y.sup.2 is OR, Y.sup.3 is hydrogen or OR such that when Y.sup.1 is hydrogen, Y.sup.3 is OR and when Y.sup.1 is chloro, Y.sup.3 is hydrogen or OR, and the pharmaceutically acceptable salts thereof; R represents an alkyl group having from one to three carbon atoms; taken separately, R.sup.1 and R.sup.2 are each hydrogen, alkyl having from one to five carbon atoms, cycloalkyl having from three to eight carbon atoms, alkenyl or alkynyl each having from three to five carbon atoms or hydroxy substituted alkyl having from two to five carbon atoms, when taken together with the nitrogen atom to which they are attached R.sup.1 and R.sup.2 form a substituted or unsubstituted heterocyclic group optionally containing an atom of oxygen, sulfur or a second atom of nitrogen as a ring member; their use as antihypertensive agents, pharmaceutical compositions containing them and intermediates for their production.

  2,4-二氨基喹唑啉的化学式为##STR1##，其中Y.sup.1为氢或氯，Y.sup.2为OR，Y.sup.3为氢或OR，当Y.sup.1为氢时，Y.sup.3为OR，当Y.sup.1为氯时，Y.sup.3为氢或OR，以及其药用盐；R代表一个具有一至三个碳原子的烷基基团；单独取R.sup.1和R.sup.2分别为氢、具有一至五个碳原子的烷基、具有三至八个碳原子的环烷基、具有三至五个碳原子的烯基或炔基，或具有两至五个碳原子的羟基取代的烷基，当与它们连接的氮原子一起时，R.sup.1和R.sup.2形成一个取代或未取代的杂环基团，该基团可选地含有一个氧原子、硫原子或第二个氮原子作为环成员；它们作为降压药剂的用途，含有它们的药物组合物以及它们生产的中间体。
• [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。
• [EN] QUINAZOLINONE COMPOUNDS<br/>[FR] COMPOSÉS QUINAZOLINONE
  申请人：CEREPEUT INC

  公开号：WO2020176652A1

  公开（公告）日：2020-09-03

  New quinazolinone compounds are disclosed, as well as pharmaceutical compositions containing quinazolinones and methods for the treatment of diseases and conditions associated with mitochondrial dysfunction.

  揭示了新的喹唑啉酮化合物，以及含有喹唑啉酮的药物组合物和用于治疗与线粒体功能障碍相关的疾病和症状的方法。
• [EN] A NOVEL SMALL MOLECULE COMPOUND<br/>[FR] NOUVEAU COMPOSÉ À PETITES MOLÉCULES
  申请人：CEREPEUT INC

  公开号：WO2019055528A1

  公开（公告）日：2019-03-21

  The present invention relates to compositions and methods for the treatment of cancer and other diseases associated with mitochondrial dysfunction, including but not limited to, neurodegenerative disease, brain injuries, and certain non-neurological disorders, using a novel compound, 6-chloro-3-(2,4-dichloro-5-methoxyphenyl)-2-mercapto-7- methoxyquinazolin-4(3H)-one, and derivatives thereof.

  本发明涉及使用一种新型化合物6-氯-3-(2,4-二氯-5-甲氧基苯基)-2-巯基-7-甲氧基喹唑啉-4(3H)-酮及其衍生物，治疗与线粒体功能障碍相关的癌症和其他疾病，包括但不限于神经退行性疾病、脑损伤和某些非神经疾病。
• Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines
  申请人：Pfizer Inc.

  公开号：US04351940A1

  公开（公告）日：1982-09-28

  2,4-Diaminoquinazolines of the formula ##STR1## wherein Y.sup.1 is hydrogen or chloro, Y.sup.2 is OR, Y.sup.3 is hydrogen or OR such that when Y.sup.1 is hydrogen, Y.sup.3 is OR and when Y.sup.1 is chloro, Y.sup.3 is hydrogen or OR, and the pharmaceutically acceptable salts thereof; R represents an alkyl group having from one to three carbon atoms; taken separately, R.sup.1 and R.sup.2 are each hydrogen, alkyl having from one to five carbon atoms, cycloalkyl having from three to eight carbon atoms, alkenyl or alkynyl each having from three to five carbon atoms or hydroxy substituted alkyl having from two to five carbon atoms, when taken together with the nitrogen atom to which they are attached R.sup.1 and R.sup.2 form a substituted or unsubstituted heterocyclic group optionally containing an atom of oxygen, sulfur or a second atom of nitrogen as a ring member; their use as antihypertensive agents, pharmaceutical compositions containing them and intermediates for their production.

  公式为 ##STR1## 的2,4-二氨基喹嗪，其中Y1为氢或氯，Y2为OR，Y3为氢或OR，当Y1为氢时，Y3为OR，当Y1为氯时，Y3为氢或OR，以及其药学上可接受的盐；R代表具有1至3个碳原子的烷基；分别取R1和R2为氢、具有1至5个碳原子的烷基、具有3至8个碳原子的环烷基、具有3至5个碳原子的烯基或炔基或具有2至5个碳原子的羟基取代的烷基，当它们与它们所连接的氮原子一起取用时，R1和R2形成一个取代或未取代的杂环基，可选地含有一个氧原子、硫原子或第二个氮原子作为环成员；它们作为降压剂的用途，包含它们的制药组合物和它们制备的中间体。