1-苄基-3-(叔丁基)吡唑-5-羰酰氯 | 160233-29-4

• 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: 1-苄基-3-(叔丁基)吡唑-5-羰酰氯
• 中文别名: 1-苄基-3-(叔丁基)-1H-吡唑-5-羰酰氯；1-苄基-3-叔丁基-1H-吡唑-5-羰酰氯
• 英文名称: 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride
• 英文别名: 3-(tert-butyl)-1-benzylpyrazole-5-carbonyl chloride；2-benzyl-5-tert-butylpyrazole-3-carbonyl chloride
• CAS: 160233-29-4
• 化学式: C₁₅H₁₇ClN₂O
• mdl: MFCD00084892
• 分子量: 276.766
• InChiKey: GXQKPPPBCMZVMB-UHFFFAOYSA-N

物化性质

• 沸点：
  143 °C
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 危险类别码：
  R34
• 海关编码：
  2933199090
• 安全说明：
  S26,S36/37/39,S45

制备方法与用途

制备方法

化学试剂、有机中间体、精细化学品、药物研发

用途简介

暂无内容

用途

化学试剂、有机中间体、精细化学品、药物研发

反应信息

• 作为反应物：
  描述：

  1-苄基-3-(叔丁基)吡唑-5-羰酰氯 、 7-(3-aminophenoxy)-1H-imidazo[4,5-b]pyridin-2(3H)-one 以to afford the title compound (40 mg, 39%)的产率得到1-benzyl-3-tert-butyl-N-(3-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  Imidazo[4, 5-B]pyridin-2-one and oxazolo[4, 5-B] pyridin-2-one compounds and analogs thereof as cancer therapeutic compounds

  摘要：

  本发明涉及某些咪唑并[4,5-b]吡啶-2-酮和噁唑并[4,5-b]吡啶-2-酮化合物及其类似物，其中包括抑制RAF（例如B-RAF）活性，抑制细胞增殖，治疗癌症等。本发明还涉及包含这种化合物的制药组合物，以及在体外和体内使用这种化合物和组合物来抑制RAF（例如B-RAF）活性，抑制受体酪氨酸激酶（RTK）活性，抑制细胞增殖以及治疗疾病和状况，这些疾病和状况通过抑制RAF、RTK等而得到改善，包括增生性疾病如癌症（例如结直肠癌、黑色素瘤）等。

  公开号：

  US07951819B2

文献信息

• NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME
  申请人：Ryono Denis E.

  公开号：US20080009465A1

  公开（公告）日：2008-01-10

  Compounds are provided which are phosphonate and phosphinate activators and thus are useful in treating diabetes and related diseases and have the structure wherein is a heteroaryl ring; R 4 is —(CH 2 ) n -Z-(CH 2 ) m —PO(OR 7 )(OR 8 ), —(CH 2 ) n Z-(CH 2 ) m —PO(OR 7 )R g , —(CH 2 ) n -Z-(CH 2 ) m —OPO(OR 7 )R g , —(CH 2 ) n Z—(CH 2 ) m —OPO(R 9 )(R 10 ), or —(CH 2 ) n Z—(CH 2 ) m —PO(R 9 )(R 10 ); R 5 and R 6 are independently selected from H, alkyl and halogen; Y is R 7 (CH 2 ) s or is absent; and X, n, Z, m, R 4 , R 5 , R 6 , R 7 , and s are as defined herein; or a pharmaceutically acceptable salt thereof. A method for treating diabetes and related diseases employing the above compounds is also provided.

  提供了磷酸酯和磷酸酯激活剂，因此在治疗糖尿病和相关疾病方面非常有用，并具有以下结构： 其中 是杂环芳基环； R 4 为—(CH 2 ) n -Z-(CH 2 ) m —PO(OR 7 )(OR 8 )、—(CH 2 ) n Z-(CH 2 ) m —PO(OR 7 )R g 、—(CH 2 ) n -Z-(CH 2 ) m —OPO(OR 7 )R g 、—(CH 2 ) n Z—(CH 2 ) m —OPO(R 9 )(R 10) 或—(CH 2 ) n Z—(CH 2 ) m —PO(R 9 )(R 10) ； R 5 和R 6 分别选择自H、烷基和卤素； Y为R 7 (CH 2 ) s 或不存在；以及 X、n、Z、m、R 4 、R 5 、R 6 、R 7 和s如本文所定义；或其药用盐。 还提供了一种利用上述化合物治疗糖尿病和相关疾病的方法。
• Sulfonamide inhibitors of aspartyl protease
  申请人：Vertex Pharmaceuticals, Incorporated

  公开号：US06372778B1

  公开（公告）日：2002-04-16

  The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting HIV-1 and HIV-2 protease activity and consequently, may be advantageously used as anti-viral agents against the HIV-1 and HIV-2 viruses. This invention also relates to methods for inhibiting the activity of HIV aspartyl protease using the compounds of this invention and methods for screening compounds for anti-HIV activity.

  本发明涉及一种新型磺胺类化合物，其为天冬氨酸蛋白酶抑制剂。在一个实施例中，本发明涉及一种新型HIV天冬氨酸蛋白酶抑制剂，其具有特定的结构和理化特征。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制HIV-1和HIV-2蛋白酶活性，因此，可以有利地用作抗HIV-1和HIV-2病毒的抗病毒剂。本发明还涉及使用本发明的化合物抑制HIV天冬氨酸蛋白酶活性的方法，以及筛选具有抗HIV活性的化合物的方法。
• [EN] NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF<br/>[FR] NOUVEAUX COMPOSÉS EN TANT QUE LIGANDS DE RÉCEPTEUR DE CANNABINOÏDE ET LEURS UTILISATIONS
  申请人：ABBOTT LAB

  公开号：WO2009067613A1

  公开（公告）日：2009-05-28

  The present invention relates to compounds of formula (I), or pharmaceutical salts, prodrugs, salts of prodrugs, or combinations thereof, formula (I). wherein R1, R2, R3, R4, and L1 are defined in the specfication, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions. The present invention also relates to compounds of formula (II), or pharmaceutical salts, prodrugs, salts of prodrugs, or combinations thereof, formula (II). wherein R1a, R2a, Rx, and n are as defined in the specification, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本发明涉及式(I)的化合物，或药用盐、前药、前药的盐或其组合物，式(I)。其中R1、R2、R3、R4和L1在规范中定义，包括含有这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。本发明还涉及式(II)的化合物，或药用盐、前药、前药的盐或其组合物，式(II)。其中R1a、R2a、Rx和n如规范中定义，包括含有这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• Compounds and compositons for treating C1s-mediated diseases and conditions
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20020037915A1

  公开（公告）日：2002-03-28

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 1 , R 2 , R 3 , R 4 , X, Y and Z are defined in the specification.

  揭示了一种治疗急性或慢性疾病症状的方法，该疾病是由补体级联的经典途径介导的，包括向需要此类治疗的哺乳动物施用化合物I的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中规范中定义了R1、R2、R3、R4、X、Y和Z。
• Novel sulfonamide inhibitors of aspartyl protease
  申请人：Vertex Pharmaceuticals, Inc.

  公开号：US20030064977A1

  公开（公告）日：2003-04-03

  The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting HIV-1 and HIV-2 protease activity and consequently, may be advantageously used as anti-viral agents against the HIV-1 and HIV-2 viruses. This invention also relates to methods for inhibiting the activity of HIV aspartyl protease using the compounds of this invention and methods for screening compounds for anti-HIV activity.

  本发明涉及一类新型的磺酰胺，它们是天冬氨酸蛋白酶抑制剂。在一种实施方式中，本发明涉及一类新型的HIV天冬氨酸蛋白酶抑制剂，其具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物特别适用于抑制HIV-1和HIV-2蛋白酶活性，因此可以优势地用作抗HIV-1和HIV-2病毒的抗病毒剂。本发明还涉及使用本发明的化合物抑制HIV天冬氨酸蛋白酶活性的方法和筛选抗HIV活性化合物的方法。