N-(3-甲氧基苯基)-beta-丙氨酸 | 3334-67-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-(3-甲氧基苯基)-beta-丙氨酸
• 英文名称: 3-((3-methoxyphenyl)amino)propanoic acid
• 英文别名: 3-[(3-Methoxyphenyl)amino]propanoic acid；3-(3-methoxyanilino)propanoic acid
• CAS: 3334-67-6
• 化学式: C₁₀H₁₃NO₃
• mdl: MFCD09755092
• 分子量: 195.218
• InChiKey: GXUUIWAHDCGIFS-UHFFFAOYSA-N

物化性质

• 沸点：
  140-145 °C(Press: 0.2 Torr)
• 密度：
  1.216±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  N-(3-甲氧基苯基)-beta-丙氨酸 在 palladium on activated charcoal 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 PPA 、 氢气 、 三溴化硼 、 溶剂黄146 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 7-羟基-1,2,3,4-四氢喹啉
  参考文献：
  名称：

  Nonsteroidal androgen receptor agonists based on 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one

  摘要：

  A series of 2H-pyrano[3,2-g]quinolin-2-ones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one, displayed moderate interaction with hAR, but substituted analogues were potent hAR modulators in vitro as mesaured by an hAR cotransfection assay in CV-I cells and bound to hAR with high affinity in a whole cell assay. Several analogues were able to activate hAR-mediated gene transcription more potently and efficaciously than dihydrotestosterone. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00118-3
• 作为产物：
  描述：

  methyl 3-(3-methoxyanilino)propionate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 N-(3-甲氧基苯基)-beta-丙氨酸
  参考文献：
  名称：

  Booker-Milburn, Kevin I.; Dunkin, Ian R.; Kelly, Frances C., Journal of the Chemical Society. Perkin transactions I, 1997, # 21, p. 3261 - 3273

  摘要：

  DOI：

文献信息

• [EN] HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF<br/>[FR] LIEURS D'ACYLHYDRAZONE HÉTÉROCYCLIQUES, PROCÉDÉS ET UTILISATIONS ASSOCIÉS
  申请人：ONTARIO INSTITUTE FOR CANCER RES OICR

  公开号：WO2019119141A1

  公开（公告）日：2019-06-27

  The present application is directed to compounds of Formula (I): compounds of Formula (II): compounds of Formula (III): and compounds of Formula (IV): compositions comprising these compounds and their uses, for example as medicaments and /or diagnostics. Specifically claimed are: (1) compounds containing reactive functional groups (compound of formula I), compounds containing compounds to be linked together (compound of formula II) and compounds having a reactive functional group/a compound to be linked (compound of formula IV), (2) an antibody-drug conjugate (compound of formula III), wherein the antibody is covalently attached by a linker to one or more drugs, (3) pharmaceutical compositions comprising compounds of Formula (II) or Formula (III), (4) treatment/diagnosis of disease comprising compounds of Formula (II) or Formula (III), and (5) methods of preparing an ADC of Formula III.

  本申请涉及式(I)化合物：式(II)化合物：式(III)化合物：和式(IV)化合物：包含这些化合物的组合物及其用途，例如作为药物和/或诊断剂。具体要求保护的是：(1)包含反应性功能基团的化合物（式 I 化合物）、包含要连接在一起的化合物的化合物（式 II 化合物）和具有反应性功能基团/要连接的化合物的化合物（式 IV 化合物），(2)一种抗体-药物偶联物（式 III 化合物），其中抗体通过连接器与一个或多个药物共价连接，(3)包含式(II)或式(III)化合物的药物组合物，(4)使用式(II)或式(III)化合物治疗/诊断疾病，以及(5)制备式 III 的抗体-药物偶联物的方法。
• [EN] INHIBITORS OF HEPATITIS C VIRUS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：PRESIDIO PHARMACEUTICALS INC

  公开号：WO2012058125A1

  公开（公告）日：2012-05-03

  A class of compounds that inhibit Hepatitis C Virus (HCV) is disclosed, along with compositions containing the compound, and methods of using the composition for treating individuals infected with HCV.

  揭示了一类抑制丙型肝炎病毒（HCV）的化合物，以及含有该化合物的组合物和使用该组合物治疗感染HCV的个体的方法。
• WRINKLE-IMPROVING AGENT
  申请人：Shiseido Company, Limited

  公开号：EP1941861A1

  公开（公告）日：2008-07-09

  The invention provides a novel wrinkle-improving agent that has an effect of improving wrinkles, that does not entail problems of safety or pain even when applied to the skin, and that contains a very safe substance as an active component. A discovery was made that N-benzoyl-β-alanine, other specific β-alanine derivatives, and salts thereof have a wrinkle-improving effect, whereby a wrinkle-improving agent containing as an active component one, two, or more types of compounds selected from the group composed of these specific β-alanine derivatives and the salts thereof was developed.

  该发明提供了一种新型的改善皱纹的剂，具有改善皱纹的效果，即使应用于皮肤也不会带来安全或疼痛问题，并且包含一种非常安全的物质作为活性成分。发现N-苯甲酰-β-丙氨酸、其他特定的β-丙氨酸衍生物及其盐具有改善皱纹的效果，因此开发了一种改善皱纹的剂，其活性成分包含从这些特定的β-丙氨酸衍生物及其盐组成的群体中选择的一种、两种或更多种化合物。
• Synthesis of Novel Conformationally Constrained Pyrazolo[4,3-<i>c</i>]quinoline Derivatives as Potential Ligands for the Estrogen Receptor
  作者：Serkos Haroutounian、Konstantinos Kasiotis、Nikolas Fokialakis

  DOI：10.1055/s-2006-926466

  日期：2006.6

  3-c]quinoline derivatives is reported. The easily accessible 2,3-dihydro-lH-quinolin-4-ones were used as the starting materials and were functionalized with three different acylating agents affording their respective constrained core substrates. The latter by condensation with phenyl(or 4-methoxyphenyl)hydrazines and subsequent debenzylation or demethylation provided the desired pyrazole derivatives. Some

  报道了三种新型吡唑并[4,3-c]喹啉衍生物的制备。容易获得的 2,3-二氢-1H-喹啉-4-酮用作起始材料，并用三种不同的酰化剂进行官能化，从而提供它们各自的受限核心底物。后者通过与苯基（或4-甲氧基苯基）肼缩合并随后脱苄基或脱甲基提供所需的吡唑衍生物。关于这些反应的区域选择性和机制，出现了一些有趣的特征。
• Steroid receptor modulator compounds and methods
  申请人：——

  公开号：US20040186132A1

  公开（公告）日：2004-09-23

  Non-steroidal compounds which are high affinity, high selectivity modulators for steroid receptors are disclosed. Also disclosed are pharmaceutical compositions incorporating such compounds, methods for employing the disclosed compounds and compositions for treating patients requiring steroid receptor agonist or antagonist therapy, intermediates useful in the preparation of the compounds and processes for the preparation of the steroid receptor modulator compounds.

  本文披露了高亲和力、高选择性的非类固醇化合物，可作为类固醇受体调节剂。同时也披露了包含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需要类固醇受体激动剂或拮抗剂治疗的患者的方法，还包括制备这些化合物的中间体和制备类固醇受体调节剂化合物的方法。