(3-aminopyrrolidin-1-yl)(5-(6-(benzo[d]thiazol-6-ylamino)-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazol-2-yl)methanone | 1447222-87-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: (3-aminopyrrolidin-1-yl)(5-(6-(benzo[d]thiazol-6-ylamino)-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazol-2-yl)methanone
• 英文别名: (3-Aminopyrrolidin-1-yl)-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)pyridin-3-yl]-1,3,4-thiadiazol-2-yl]methanone
• CAS: 1447222-87-8
• 化学式: C₂₂H₂₄N₈OS₂
• 分子量: 480.618
• InChiKey: HCKFKIGWHYSJSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  178
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• [EN] TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS<br/>[FR] COMPOSÉS PYRIDYLES À SUBSTITUTION TRIAZOLYLE UTILES COMME INHIBITEURS DE KINASES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013106614A1

  公开（公告）日：2013-07-18

  Compounds having the following formula:(I) wherein:A is an optionally substiuted triazole, or a stereoisomer or a pharmaceutically-acceptable salt thereof, are useful as kinase modulators, including IRAK-4 modulation.

  具有以下公式的化合物：（I）其中：A 是一个可选地取代的三唑环，或者其立体异构体或药用可接受的盐，可用作激酶调节剂，包括 IRAK-4 调节。
• [EN] HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS<br/>[FR] COMPOSÉS PYRIDYLE À SUBSTITUTION HÉTÉROCYCLIQUE UTILES EN TANT QU'INHIBITEURS DE KINASES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013106612A1

  公开（公告）日：2013-07-18

  Compounds having the following formula: wherein A is, or; and X is N or C-R7, or an enantiomer, diastereomer or a pharmaceutically-acceptable salt thereof, are useful as kinase modulators, including IRAK-4 modulation.

  具有以下公式的化合物：其中A是，或者；X是N或者是C-R7，或者是一个对映体，非对映体或药用可接受的盐，可用作激酶调节剂，包括IRAK-4调节。
• [EN] THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS<br/>[FR] COMPOSÉS PYRIDYLES SUBSTITUÉS PAR THIAZOLYL OU THIADIAZOLYL UTILES EN TANT QU'INHIBITEURS DE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013106641A1

  公开（公告）日：2013-07-18

  Compounds having the following formula (I) or an enantiomer, diastereomer or a pharmaceutically-acceptable salt thereof, wherein X is N or C-R7, are useful as kinase modulators, including IRAK-4 modulation.

  具有以下公式(I)或其对应的手性异构体、对映异构体或药用可接受盐的化合物，其中X是N或C-R7，可用作激酶调节剂，包括IRAK-4调节。
• PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS
  申请人：Lucite International UK Limited

  公开号：US20150011758A1

  公开（公告）日：2015-01-08

  A novel bidentate ligand of general formula (I) is described together with a process for the carbonylation of ethylenically unsaturated compounds. The group X 1 may be defined as a univalent hydrocarbyl radical of up to 30 atoms containing at least one nitrogen atom having a pKb in dilute aqueous solution at 18° C. of between 4 and 14 wherein the said at least one nitrogen atom is separated from the Q 2 atom by between 1 and 3 carbon atoms. The group X 2 is defined as X 1 , X 3 or X 4 or represents a univalent radical of up to 30 atoms having at least one primary, secondary or aromatic ring carbon atom wherein each said univalent radical is joined via said at least one primary, secondary or aromatic ring carbon atom(s) respectively to the respective atom Q 2 . Q 1 and Q 2 each independently represent phosphorus, arsenic or antimony.

  本发明涉及一种一般式(I)的新型双齿配体，以及一种用于羰基化乙烯基不饱和化合物的方法。其中，基团X1可以定义为具有最多30个原子的一价烃基基团，其中至少含有一个氮原子，在18℃下的稀溶液中pKb值在4到14之间，且所述至少一个氮原子与Q2原子之间相隔1到3个碳原子。基团X2被定义为X1、X3或X4，或表示具有至少一个一级、二级或芳香环碳原子的最多30个原子的一价基团，其中每个所述一价基团分别通过所述至少一个一级、二级或芳香环碳原子与相应的Q2原子连接。Q1和Q2各自独立地表示磷、砷或锑。
• HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20150011532A1

  公开（公告）日：2015-01-08

  Compounds having the following formula: wherein A is, or; and X is N or C—R 7 , or an enantiomer, diastereomer or a pharmaceutically-acceptable salt thereof, are useful as kinase modulators, including IRAK-4 modulation.

  具有以下式子的化合物：其中A是或；而X是N或C—R7，或其对映异构体、顺反异构体或药学上可接受的盐，可用作激酶调节剂，包括IRAK-4调节。