3'-氨基甲酰-4-联苯基羧酸 | 199678-18-7

• 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'-氨基甲酰-4-联苯基羧酸
• 中文别名: D-丙氨酸,3-氯-2-甲基-,甲基酯
• 英文名称: 3'-carbamoylbiphenyl-4-carboxylic acid
• 英文别名: 4-(3-Aminocarbonylphenyl)benzoic acid；4-(3-carbamoylphenyl)benzoic acid
• CAS: 199678-18-7
• 化学式: C₁₄H₁₁NO₃
• 分子量: 241.246
• InChiKey: RJUGNNOOCRDGDQ-UHFFFAOYSA-N

物化性质

• 沸点：
  485.3±38.0 °C(Predicted)
• 密度：
  1.297±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  3'-氨基甲酰-4-联苯基羧酸 、 [R-(R,R)]-a-(1-氨乙基)-3-氰基-苯丙酸甲酯 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Optimization of the β-Aminoester class of factor Xa inhibitors. part 1: P4 and side-Chain modifications for improved In vitro potency

  摘要：

  A systematic modification of the C3 side-chain of the beta-aminoester class of factor Xa inhibitors and a survey Of P-4 variations is described. These changes have resulted in the identification of sub-nanomolar inhibitors with improved selectivity versus related proteases. Coagulation parameters (i.e., APTT doubling concentrations) are also improved. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00212-3

文献信息

• 1-aroyl-piperidinyl benzamidines
  申请人：——

  公开号：US20020045613A1

  公开（公告）日：2002-04-18

  This invention relates to compounds of formula 1 which inhibit Factor Xa or tryptase, to pharmaceutical compositions containing the compounds, and to the use of the compounds for the treatment of patients suffering from conditions which can be ameliorated by the administration of an inhibitor of Factor Xa or tryptase.

  该发明涉及一种公式1的化合物，其能够抑制Xa因子或胰蛋白酶，以及含有这些化合物的药物组合物，以及利用这些化合物治疗患有可以通过给予Xa因子或胰蛋白酶抑制剂而得到改善的病患的方法。
• BICYCLIC HETEROCYCLIC COMPOUND
  申请人：Astellas Pharma Inc.

  公开号：US20140249151A1

  公开（公告）日：2014-09-04

  [Problem] To provide a compound useful as an active ingredient of a pharmaceutical composition for treating 11β-hydroxysteroid dehydrogenase type 1-related diseases such as dementia, schizophrenia, depression, pain (particularly, neuropathic pain or fibromyalgia), diabetes (particularly, type II diabetes mellitus), insulin resistance and the like. [Means for Solution] A bicyclic heterocyclic compound (the bicyclic heterocycle is formed when a cyclohexane ring is fused with a 5- to 6-membered monocyclic heterocycle that has only a nitrogen atom as a hetero atom) substituted with an acylamino group such as a (hetero)aroylamino group or the like or a pharmaceutically acceptable salt thereof was found to have an excellent selective inhibitory action against 11β-HSD1. Accordingly, the bicyclic heterocyclic compound of the present invention can be used for treating dementia, schizophrenia, depression, pain (particularly, neuropathic pain or fibromyalgia), diabetes (particularly, type II diabetes mellitus), insulin resistance, and the like.

  提供一种化合物，作为药物组合物的有效成分，用于治疗与11β-羟基类固醇脱氢酶1相关的疾病，如痴呆症、精神分裂症、抑郁症、疼痛（尤其是神经病性疼痛或纤维肌痛）、糖尿病（尤其是2型糖尿病）、胰岛素抵抗等。解决方法是发现一种带有酰胺基（如（杂）芳酰胺基等）或其药用可接受盐的取代的双环杂环化合物（当环己烷环与仅有氮原子作为杂原子的5-至6-成员单环杂环融合时形成双环杂环化合物），发现其对11β-HSD1具有出色的选择性抑制作用。因此，本发明的双环杂环化合物可用于治疗痴呆症、精神分裂症、抑郁症、疼痛（尤其是神经病性疼痛或纤维肌痛）、糖尿病（尤其是2型糖尿病）、胰岛素抵抗等。
• 1-Aroyl-piperidinyl benzamidines
  申请人：AVENTIS PHARMACEUTICALS INC

  公开号：US20040220171A1

  公开（公告）日：2004-11-04

  This invention relates to compounds of formula 1 which inhibit Factor Xa or tryptase, to pharmaceutical compositions containing the compounds, and to the use of the compounds for the treatment of patients suffering from conditions which can be ameliorated by the administration of an inhibitor of Factor Xa or tryptase.

  本发明涉及式1化合物，其抑制因子Xa或胰蛋白酶，以及含有该化合物的药物组合物，以及使用该化合物治疗患有可通过给予因子Xa或胰蛋白酶抑制剂治疗的疾病的患者的用途。
• ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS
  申请人：Yamagishi Tatsuya

  公开号：US20120232052A1

  公开（公告）日：2012-09-13

  The present invention relates to aryl carboxamide derivatives of formula (I), wherein Ar 1 is phenyl; Ar 2 is aryl; n is 1-4; X is —O—, —S—, —SO— or —SO 2 —, a prodrug thereof or a pharmaceutically acceptable salt thereof, which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of such disorders and diseases as pain in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases as pain in which voltage gated sodium channels are involved.

  本发明涉及公式（I）的芳基羧酰胺衍生物，其中Ar1是苯基；Ar2是芳基；n为1-4；X为—O—、—S—、—SO—或—SO2—，其前体药物或其药学上可接受的盐，具有阻断电压门控钠通道如TTX-S通道的活性，并在治疗或预防涉及电压门控钠通道的疾病和疾病，如疼痛方面中有用。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗涉及电压门控钠通道的疾病和疾病，如疼痛方面的使用。
• Amido-(propyl and allyl)-hydroxybenzamidines: development of achiral inhibitors of factor Xa
  作者：Yong Gong、Henry W. Pauls、Alfred P. Spada、Mark Czekaj、Guyan Liang、Valeria Chu、Dennis J. Colussi、Karen D. Brown、Jingbo Gao

  DOI：10.1016/s0960-894x(99)00673-3

  日期：2000.2

  The design, synthesis and SAR of amido-(propyl and allyl)-hydroxybenzamidine coagulation factor Xa inhibitors is described. These achiral inhibitors are selective for fXa vis a vis structurally related serine proteases and are readily prepared in 6-7 linear steps. The most potent member 9j (fXa K-i = 0.75 nM) is selective (>1000-fold) and an effective anticoagulant in mammalian plasma. (C) 2000 Elsevier Science Ltd. All rights reserved.