2-{[(9H-芴-9-基甲氧基)羰基]氨基}-1,3-噻唑-4-羧酸 | 371770-31-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: 2-{[(9H-芴-9-基甲氧基)羰基]氨基}-1,3-噻唑-4-羧酸
• 英文名称: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-thiazole-4-carboxylic acid
• 英文别名: N-Fmoc-2-aminothiazole-4-carboxylic acid；N-Fmoc-aminothiazole-4-carboxylic acid；2-({[(9H-Fluoren-9-YL)methoxy]carbonyl}amino)-1,3-thiazole-4-carboxylic acid；2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
• CAS: 371770-31-9
• 化学式: C₁₉H₁₄N₂O₄S
• 分子量: 366.397
• InChiKey: RVHMYRUAZBVNJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Wang resin 、 2-{[(9H-芴-9-基甲氧基)羰基]氨基}-1,3-噻唑-4-羧酸 在 2,6-二氯苯甲酰氯 、 吡啶 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 0.08h， 生成 Tert-butoxycarbonylamino-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-acetic acid
  参考文献：
  名称：

  Substituted hydantoins

  摘要：

  本发明涉及以下公式的化合物，这些化合物在治疗以MEK高活性为特征的疾病方面具有用途。因此，这些化合物在治疗癌症、认知和中枢神经系统疾病以及炎症/自身免疫疾病等疾病方面具有用途。

  公开号：

  US20060063814A1
• 作为产物：
  描述：

  Fmoc-异硫氰酸 在 氨 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 1.25h， 生成 2-{[(9H-芴-9-基甲氧基)羰基]氨基}-1,3-噻唑-4-羧酸
  参考文献：
  名称：

  A Convenient Synthesis of 2‐(9H‐Fluoren‐9‐ylmethoxycarbonylamino)‐thiazole‐4‐carboxylic Acid via N‐Fmoc‐thiourea

  摘要：

  2-(9H-Fluoren-9-ylmethoxycarbonylamino)-thiazole-4-carboxylic acid has been prepared in high yield from 3-bromopyruvic acid and (aminothioxo-methyl)carbamic acid 9H-fluoren-9-ylmethyl ester (N-Fmoc-thiourea) that was obtained from potassium thiocyanate.

  DOI：

  10.1081/scc-120034173

文献信息

• Hydantoin-containing glucokinase activators
  申请人：——

  公开号：US20010056191A1

  公开（公告）日：2001-12-27

  Hydantoin compounds which are active as glucokinase activators to increase insulin secretion which makes them useful for treating type II diabetes.

  Hydantoin化合物具有活性，可作为葡萄糖激酶激活剂，增加胰岛素分泌，因此它们在治疗II型糖尿病方面非常有用。
• Probes, systems, and methods for drug discovery
  申请人：——

  公开号：US20030125315A1

  公开（公告）日：2003-07-03

  Aspects of the present invention include probes, methods, systems that have stand alone utility and may comprise features of a drug discovery system or method. The present invention also includes pharmaceutical compositions. In more detail, the present invention provides molecular probes and methods for producing molecular probes. The present invention provides also provides systems and methods for new drug discovery. An embodiment of the present invention utilizes sets of probes of the present invention and a new approach to computational chemistry in a drug discovery method having increased focus in comparison to heretofore utilized combinatorial chemistry. The present invention also provides computer software and hardware tools useful in drug discovery systems. In an embodiment of a drug discovery method of the present invention in silico methods and in biologico screening methods are both utilized to maximize the probability of success while minimizing the time and number of wet laboratory steps necessary to achieve the success.

  本发明的方面包括探针、方法、系统，具有独立实用性并可能包括药物发现系统或方法的特征。本发明还包括制药组合物。更详细地说，本发明提供了分子探针和制备分子探针的方法。本发明还提供了新药物发现的系统和方法。本发明的实施例利用本发明的探针集和一种新的计算化学方法在药物发现方法中具有更高的聚焦度，相比之前使用的组合化学方法。本发明还提供了在药物发现系统中有用的计算机软件和硬件工具。在本发明的药物发现方法的实施例中，同时利用了基于计算机的方法和生物筛选方法，以最大化成功的可能性，同时最小化必要的湿实验步骤的时间和数量。
• NOVEL ACTIVATORS OF GLUCOKINASE
  申请人：Tian Feng

  公开号：US20110294758A1

  公开（公告）日：2011-12-01

  The present invention provides for novel compounds of Formulas I and II and pharmaceutically acceptable salts and co-crystals thereof which have glucokinsae activator activity. The present invention further provides for pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucokinase activator is indicated, including Type 1 and 2 diabetes, impaired glucose tolerance, insulin resistance and hyperglycemia. The present invention also provides for processes of making the compounds of Formulas I and II, including salts and co-crystals thereof, and pharmaceutical compositions comprising the same.

  本发明提供了I和II式的新型化合物，以及其药学上可接受的盐和共晶体，具有葡萄糖激酶激活剂活性。本发明还提供了包括该化合物的制药组合物，以及治疗、预防、延迟发病时间或减少一种或多种葡萄糖激酶激活剂所指示的疾病或症状发展或进展的方法，包括1型和2型糖尿病、糖耐量受损、胰岛素抵抗和高血糖。本发明还提供了制备I和II式化合物（包括其盐和共晶体）以及包括该化合物的制药组合物的方法。
• LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY
  申请人：Bittermann Holger

  公开号：US20130131321A1

  公开（公告）日：2013-05-23

  The present invention relates to the use for affinity purification of an antibody or an fragment of an antibody, of a ligand-substituted matrix comprising a support material and at least one ligand covalently bonded to the support material, the ligand being represented by formula (I) wherein Sp is a spacer group; v is 0 or 1; Am is an amide group —NR 1 —C(O)—, and wherein either NR 1 is attached to Ar 1 and —C(O)— is attached to Ar 2 , or —C(O)— is attached to Ar 1 and NR 1 is attached to Ar 2 ; and R 1 is hydrogen or C 1 to C 4 alkyl, preferably hydrogen or methyl; and more preferably hydrogen; Ar 1 is a divalent 5- or 6-membered substituted or unsubstituted aromatic ring; Ar 2 is 5- or 6-membered heterocyclic aromatic ring which is (a) attached to a further 5- or 6-membered aromatic ring via a single bond; or (b) fused to a further 5- or 6-membered aromatic ring as part of a multicyclic ring system; or (c) attached to at least one substituent selected from C 1 to C 4 alkyl; C 2 to C 4 alkenyl; C 2 to C 4 alkynyl; a halogen; C 1 to C 4 haloalkyl; hydroxyl-substituted C 1 to C 4 alkyl; C 1 to C 4 alkoxy; hydroxyl-substituted C 1 to C 4 alkoxy; C 1 to C 4 alkylamino; C 1 to C 4 alkylthio; and combinations thereof.

  本发明涉及使用具有支持材料和至少一种共价键合到支持材料的配体的替代基矩阵，用于亲和纯化抗体或抗体片段，其中该配体由式(I)表示，其中Sp是一个空间基团；v为0或1；Am是一个酰胺基团-NR1-C（O）-，其中NR1连接到Ar1，-C（O）-连接到Ar2，或-C（O）-连接到Ar1，NR1连接到Ar2；R1是氢或C1到C4烷基，优选氢或甲基，更优选氢；Ar1是二价的5-或6-成员取代或未取代芳香环；Ar2是5-或6-成员的杂环芳香环，它(a)通过单键连接到另一个5-或6-成员的芳香环；或（b）作为多环环系统的一部分与另一个5-或6-成员的芳香环融合；或（c）连接到至少一个取代基，所述取代基选择自C1到C4烷基；C2到C4烯基；C2到C4炔基；卤素；C1到C4卤代烷基；羟基取代的C1到C4烷基；C1到C4烷氧基；羟基取代的C1到C4烷氧基；C1到C4烷基氨基；C1到C4烷基硫基；以及其组合。
• Probes, Systems, and Methods for Drug Discovery
  申请人：Mjalli Adnan M. M.

  公开号：US20110039714A1

  公开（公告）日：2011-02-17

  Aspects of the present invention include probes, methods, systems that have stand alone utility and may comprise features of a drug discovery system or method. The present invention also includes pharmaceutical compositions. In more detail, the present invention provides molecular probes and methods for producing molecular probes. The present invention provides also provides systems and methods for new drug discovery. An embodiment of the present invention utilizes sets of probes of the present invention and a new approach to computational chemistry in a drug discovery method having increased focus in comparison to heretofore utilized combinatorial chemistry. The present invention also provides computer software and hardware tools useful in drug discovery systems. In an embodiment of a drug discovery method of the present invention in silico methods and in biologico screening methods are both utilized to maximize the probability of success while minimizing the time and number of wet laboratory steps necessary to achieve the success.

  本发明的方面包括探针、方法、系统，具有独立实用性，并可能包括药物发现系统或方法的特征。本发明还包括制药组合物。更详细地说，本发明提供了分子探针和制备分子探针的方法。本发明还提供了用于新药物发现的系统和方法。本发明的一种实施利用本发明的探针集和一种新的计算化学方法，在药物发现方法中具有比迄今所使用的组合化学更高的聚焦度。本发明还提供了在药物发现系统中有用的计算机软件和硬件工具。在本发明的药物发现方法的实施中，利用无机方法和生物筛选方法最大化成功的可能性，同时最小化实现成功所需的时间和实验室步骤数量。