1-[6-(Hydroxymethyl)pyridin-3-yl]ethan-1-one | 19104-67-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[6-(Hydroxymethyl)pyridin-3-yl]ethan-1-one
• 英文别名: 1-[6-(hydroxymethyl)pyridin-3-yl]ethanone
• CAS: 19104-67-7
• 化学式: C₈H₉NO₂
• mdl: MFCD18802597
• 分子量: 151.16
• InChiKey: LYQJXIHZZFQJQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160221948A1

  公开（公告）日：2016-08-04

  The present invention provides a compound represented by the following formula (I) or its pharmaceutically acceptable salt: [wherein, R 1 represents optionally substituted C 1-4 alkyl, n shows integer of 1 to 4, R 2 represents optionally substituted C 1-4 alkyl or hydrogen atom, R 3 represents optionally substituted C 1-4 alkyl, R 4a , R 4b , R 4c , and R 4d , similarly or differently, represent optionally substituted C 6-14 aryl, optionally substituted C 1-4 alkyl, or hydrogen atom and the like, A represents optionally substituted C 6-14 aryl or optionally substituted 5 to 11 membered heteroaryl].

  本发明提供了一种由下式(I)表示的化合物或其药用可接受的盐： [其中，R1表示可选地取代的C1-4烷基，n表示1到4的整数，R2表示可选地取代的C1-4烷基或氢原子，R3表示可选地取代的C1-4烷基，R4a、R4b、R4c和R4d，相同或不同，表示可选地取代的C6-14芳基，可选地取代的C1-4烷基，或氢原子等，A表示可选地取代的C6-14芳基或可选地取代的5至11成员的杂芳基]。
• COMPOUND SUITABLE FOR DETECTION OF MITOCHONDRIAL COMPLEX-1
  申请人：HAMAMATSU PHOTONICS K.K.

  公开号：US20150225368A1

  公开（公告）日：2015-08-13

  Provided is a compound represented by formula (1-0): wherein in formula (1-0), R represents —O(CH 2 ) n —, —O(CH 2 ) n OC 2 H 4 —, —CH 2 O(CH 2 ) n — or —CH 2 O(CH 2 ) n OC 2 H 4 —; n represents an integer from 1 to 5; and Q 1 represents F or —OCH 3 .

  提供的化合物的化学式为（1-0）：其中在化学式（1-0）中，R代表—O(CH2)n—，—O(CH2)nOC2H4—，—CH2O(CH2)n—或—CH2O(CH2)nOC2H4—；n代表1到5之间的整数；Q1代表F或—OCH3。
• DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER
  申请人：HAMAMATSU PHOTONICS K.K.

  公开号：US20160256578A1

  公开（公告）日：2016-09-08

  The present invention provides a diagnostic agent for a therapeutic effect on cancer, containing a compound represented by formula (1-0). (In formula (1-0), R represents —O(CH 2 ) n —, —O(CH 2 ) n OC 2 H 4 —, —CH 2 O(CH 2 ) n —, or —CH 2 O(CH 2 ) n OC 2 H 4 —, n represents an integer of 1 to 5, and Q 1 represents F or —OCH 3 .)

  本发明提供了一种用于治疗癌症的诊断试剂，包含由式(1-0)表示的化合物。(在式(1-0)中，R代表—O(CH2)n—，—O(CH2)nOC2H4—，—CH2O(CH2)n—或—CH2O(CH2)nOC2H4—，n代表1至5的整数，Q1代表F或—OCH3。)
• SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS
  申请人：Nagayama Satoshi

  公开号：US20090318497A1

  公开（公告）日：2009-12-24

  This invention provides a compound of the formula (I): wherein A 1 is N and A 2 is CR 7 , or A 1 is CR 7 and A 2 is N; Y 1 , Y 2 and Y 3 are each independently CH or N, Y 4 and Y 5 are each independently CR 8 or N, with the proviso that when one of Y 1 , Y 2 , Y 3 , Y 4 and Y 5 is N, the others are not N; R 1 and R 2 are each independently hydrogen, halogen, (C 1 -C 6 )alkyl, halo(C 1 -C 6 )alkyl or hydroxy(C 1 -C 6 )alkyl; R 3 and R 8 are each independently hydrogen, halogen, hydroxy, (C 1 -C 6 )alkyl, hydroxy(C 1 -C 6 )alkoxy, (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkoxy, halo(C 1 -C 6 )alkyl, (C 1 -C 6 )alkylthio, (C 1 -C 6 )alkylsulfinyl or (C 1 -C 6 )alkylsulfonyl; R 4 is halogen, (C 1 -C 6 )alkyl, (C 3 -C 6 )cycloalkyl, halo(C 1 -C 6 )alkyl, hydroxy(C 1 -C 6 )alkyl, halo(C 1 -C 6 )alkoxy, hydroxy(C 1 -C 6 )alkoxy, (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkoxy, halo(C 1 -C 6 )alkylsulfonyl, halo(C 1 -C 6 )alkylsulfinyl, halo(C 1 -C 6 )alkylthio, [(C 1 -C 6 )alkyl]NH— or [(C 1 -C 6 )alkyl] 2 N—; and R 5 , R 6 and R 7 are each independently hydrogen, halogen, (C 1 -C 6 )alkyl, hydroxy(C 1 -C 6 )alkyl, or (C 1 -C 6 )alkoxy; or a pharmaceutically acceptable salt, solvate thereof. These compounds are useful for the treatment of disease conditions caused by overactivation of the VR1 receptor such as pain, or the like in mammal. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了一种式（I）的化合物：其中A1为N且A2为CR7，或者A1为CR7且A2为N；Y1、Y2和Y3分别独立地为CH或N，Y4和Y5分别独立地为CR8或N，但是当Y1、Y2、Y3、Y4和Y5中的一个为N时，其他的不为N；R1和R2各自独立地为氢、卤素、（C1-C6）烷基、卤代（C1-C6）烷基或羟基（C1-C6）烷基；R3和R8各自独立地为氢、卤素、羟基、（C1-C6）烷基、羟基（C1-C6）氧烷基、（C1-C6）氧烷基-(C1-C6)烷基、（C1-C6）氧烷基-(C1-C6)氧烷基、卤代（C1-C6）烷基、（C1-C6）烷基硫醇基、（C1-C6）烷基亚砜基或（C1-C6）烷基磺酰基；R4为卤素、（C1-C6）烷基、（C3-C6）环烷基、卤代（C1-C6）烷基、羟基（C1-C6）烷基、卤代（C1-C6）氧烷基、羟基（C1-C6）氧烷基、（C1-C6）氧烷基-(C1-C6)烷基、（C1-C6）氧烷基-(C1-C6）氧烷基、卤代（C1-C6）烷基磺酰基、卤代（C1-C6）烷基亚砜基、卤代（C1-C6）烷基硫醇基、[(C1-C6)烷基]NH-或[(C1-C6)烷基]2N-；以及R5、R6和R7各自独立地为氢、卤素、（C1-C6）烷基、羟基（C1-C6）烷基或（C1-C6）氧烷基；或其药学上可接受的盐、溶剂。这些化合物对于治疗由VR1受体过度激活引起的疾病状况，例如哺乳动物中的疼痛等，是有用的。本发明还提供了包含上述化合物的制药组合物。
• SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS
  申请人：Pfizer Inc.

  公开号：EP2069302B1

  公开（公告）日：2010-08-25