1-phenyl-N-(3-pyridinylmethyl)methanesulfonamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-phenyl-N-(3-pyridinylmethyl)methanesulfonamide
• 英文别名: 1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
• 化学式: C₁₃H₁₄N₂O₂S
• mdl: MFCD01214373
• 分子量: 262.33
• InChiKey: NHIJVYDDVYIZMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  67.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors
  申请人：——

  公开号：US20010046989A1

  公开（公告）日：2001-11-29

  This invention provides, low molecular weight, non-peptide inhibitors of matrix metalloproteinases and TNF-&agr; converting enzyme (TACE, tumor necrosis factor-&agr; converting enzyme) of formula: B wherein B is 1 2 T, U, W, and X are each, independently, carbon or nitrogen, provided that when T or U is carbon, either may be optionally substituted with R 1 ; Y is carbon, nitrogen, oxygen or sulfur, provided that at least one of T, U, W, X, and Y is not carbon, and further provided that no more than 2 of T, U, W, and X are nitrogen; 3 is a phenyl ring or is a heteroaryl ring of ring 5-6 atoms which may contain 0-2 heteratoms selected from nitrogen, oxygen, and sulfur, in addition to any heteroatoms defined by W or X; wherein the phenyl or heteroaryl ring may be optionally mono-, di-, or tri- substituted with R 1 ; Z is a phenyl, naphthyl, heteroaryl, or heteroaryl fused to phenyl, wherein the heteroaryl moiety contains of 5-6 ring atoms and 1-3 heteroatoms selected from nitrogen, oxygen, or sulfur; wherein the phenyl, naphthyl, heteroaryl, or phenyl fused heteroaryl moieties may be optionally mono-, di-, or tri- substituted with R 1 ; R 1 is hydrogen, halogen, alkyl of 1-8 carbon atoms, alkenyl of 2-6 carbon atoms, alkynyl of 2-6 carbon atoms, cyclocalkyl of 3-6 carbon atoms, —(CH 2 ) n Z, —OR 2 , —CN, —COR 2 , perfluoroalkyl of 1-4 carbon atoms, —CONR 2 R 3 , —S(O) x R 2 —OPO(OR 2 )OR 3 , —PO(OR 2 )R 3 , —OC(O)NR 2 R 3 , —COOR 2 , —CONR 2 R 3 , —SO 3 H, —NR 2 R 3 , —NR 2 COR 3 , —NR 2 COOR 3 , —SO 2 NR 2 R 3 , —NO 2 , —N(R 2 )SO 2 R 3 , —NR 2 CONR 2 R 3 , —NR 2 C(═NR 3 )NR 2 R 3 , —SO 2 NHCOR 4 , —CONHSO 2 R 4 , -tetrazol-5-yl, —SO 2 NHCN, —SO 2 NHCONR 2 R 3 or Z; V is a saturated or partially unsaturated heterocycloalkyl ring of 5-7 ring atoms having 1-3 heteroatoms selected from N, O, or S, which may be optionally mono-, or di-substituted with R 2 ; R 2 and R 3 are each, independently, hydrogen, alkyl of 1-8 carbon atoms, alkenyl of 2-6 carbon atoms, alkynyl of 2-6 carbon atoms, cycloalkyl of 3-6 carbon atoms; perfluoroalkyl of 1-4 carbon atoms, Z or V; R 4 is alkyl of 1-8 carbon atoms, alkenyl of 2-6 carbon atoms, alkynyl of 2-6 carbon atoms, cycloalkyl of 3-6 carbon atoms; perfluoroalkyl of 1-4 carbon atoms, Z or V; R 5 is hydrogen, alkyl of 1-8 carbon atoms, alkenyl of 2-6 carbon atoms, alkynyl of 2-6 carbon atoms, Z, or V; n=1-6; x=0-2 or a pharmaceutically acceptable salt thereof.

  这项发明提供了低分子量、非肽类的基质金属蛋白酶和TNF-α转化酶（TACE，肿瘤坏死因子-α转化酶）的抑制剂，其化学式为：其中 B 是 12T，U，W 和 X 分别独立地为碳或氮，但当 T 或 U 为碳时，可以选择性地用 R1 取代；Y 为碳、氮、氧或硫，要求 T、U、W、X 和 Y 中至少有一个不是碳，并且进一步要求 T、U、W 和 X 中不超过 2 个是氮；3 为苯环或是由 5-6 个原子组成的杂环，其中可能含有 0-2 个氮、氧或硫等杂原子，除了 W 或 X 定义的杂原子之外；苯或杂环可能选择性地单取代、双取代或三取代的 R1；Z 为苯、萘、杂环或与苯融合的杂环，其中杂环部分含有 5-6 个环原子和 1-3 个氮、氧或硫等杂原子；苯、萘、杂环或苯融合杂环部分可能选择性地单取代、双取代或三取代的 R1；R1 为氢、卤素、1-8 个碳原子的烷基、2-6 个碳原子的烯基、2-6 个碳原子的炔基、3-6 个碳原子的环烷基、—(CH2)nZ、—OR2、—CN、—COR2、1-4 个碳原子的全氟烷基、—CONR2R3、—S(O)xR2—OPO(OR2)OR3、—PO(OR2)R3、—OC(O)NR2R3、—COOR2、—CONR2R3、—SO3H、—NR2R3、—NR2COR3、—NR2COOR3、—SO2NR2R3、—NO2、—N(R2)SO2R3、—NR2CONR2R3、—NR2C(═NR3)NR2R3、—SO2NHCOR4、—CONHSO2R4、-四唑-5-基、—SO2NHCN、—SO2NHCONR2R3 或 Z；V 为由 5-7 个环原子组成、含有 1-3 个氮、氧或硫等杂原子的饱和或部分不饱和杂环烷基，可能选择性地单取代或双取代的 R2；R2 和 R3 分别独立地为氢、1-8 个碳原子的烷基、2-6 个碳原子的烯基、2-6 个碳原子的炔基、3-6 个碳原子的环烷基、1-4 个碳原子的全氟烷基、Z 或 V；R4 为1-8 个碳原子的烷基、2-6 个碳原子的烯基、2-6 个碳原子的炔基、3-6 个碳原子的环烷基、1-4 个碳原子的全氟烷基、Z 或 V；R5 为氢、1-8 个碳原子的烷基、2-6 个碳原子的烯基、2-6 个碳原子的炔基、Z 或 V；n=1-6；x=0-2 或其药用盐。
• [EN] DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS DE DIHYDROPYRIDINONE ET DE DIHYDROPYRIDAZINONE UTILES COMME INHIBITEURS DE BROMODOMAINES
  申请人：ABBVIE INC

  公开号：WO2015089075A1

  公开（公告）日：2015-06-18

  The present invention provides for compounds of formula (I) wherein Y1, Y2, R1, R2, R3, A1, A2, A3, and A4, have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents for the treatment of diseases and conditions, including inflammatory diseases, cancer, and AIDS. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

  本发明提供了以下式（I）的化合物，其中Y1、Y2、R1、R2、R3、A1、A2、A3和A4具有规范中定义的任何值，以及其在药学上可接受的盐，这些化合物可用作治疗疾病和症状的药物，包括炎症性疾病、癌症和艾滋病的药物。还提供了由一个或多个式（I）化合物组成的药物组合物。
• Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors
  申请人：——

  公开号：US20010025047A1

  公开（公告）日：2001-09-27

  This invention provides, low molecular weight, non-peptide inhibitors of matrix metalloproteinases and TNF-&agr; converting enzyme (TACE, tumor necrosis factor-&agr; converting enzyme) of formula: B wherein B is 1 P and Q are 2 provided that when P is 3 and vice versa; T, U, W, and X are each, independently, carbon or nitrogen, provided that when T or U is carbon, either may be optionally substituted with R 1 ; Y is carbon, nitrogen, oxygen or sulfur, provided that at least one of T, U, W, X, and Y is not carbon, and further provided that no more than 2 of T, U, W, and X are nitrogen; 4 is a phenyl ring or is a heteroaryl ring of ring 5-6 atoms which may contain 0-2 heteratoms selected from nitrogen, oxygen, and sulfur, in addition to any heteroatoms defined by W or X; wherein the phenyl or heteroaryl ring may be optionally mono-, di-, or tri-substituted with R 1 ; Z is a phenyl, naphthyl, heteroaryl, or heteroaryl fused to phenyl, wherein the heteroaryl moiety contains of 5-6 ring atoms and 1-3 heteroatoms selected from nitrogen, oxygen, or sulfur; wherein the phenyl, naphthyl, heteroaryl, or phenyl fused heteroaryl moieties may be optionally mono-, di-, or tri-substituted with R 1 ; R 1 is hydrogen, halogen, alkyl of 1-8 carbon atoms, alkenyl of 2-6 carbon atoms, alkynyl of 2-6 carbon atoms, cyclocalkyl of 3-6 carbon atoms, —(CH 2 ) n Z, —OR 2 , —CN, —COR 2 , perfluoroalkyl of 1-4 carbon atoms, —CONR 2 R 3 , —S(O) X R 2 —OPO(OR 2 )OR 3 , —PO(OR 2 )R 3 , —OC(O)NR 2 R 3 , —COOR 2 , —CONR 2 R 3 , —SO 3 H, —NR 2 R 3 , —NR 2 COR 3 , —NR 2 COOR 3 , —SO 2 NR 2 R 3 , —NO 2 , —N(R 2 )SO 2 R 3 , —NR 2 CONR 2 R 3 ,—NR 2 C(═NR 3 )NR 2 R 3 , —SO 2 NHCOR 4 , —CONHSO 2 R 4 , -tetrazol-5-yl, —SO 2 NHCN, —SO 2 NHCONR 2 R 3 , or Z; V is a saturated or partially unsaturated heterocycloalkyl ring of 5-7 ring atoms having 1-3 heteroatoms selected from N, O, or S, which may be optionally mono-, or di-substituted with R 2 ; R 2 and R 3 are each, independently, hydrogen, alkyl of 1-8 carbon atoms, alkenyl of 2-6 carbon atoms, alkynyl of 2-6 carbon atoms, cycloalkyl of 3-6 carbon atoms; perfluoroalkyl of 1-4 carbon atoms, Z or V; R 4 is alkyl of 1-8 carbon atoms, alkenyl of 2-6 carbon atoms, alkynyl of 2-6 carbon atoms, cycloalkyl of 3-6 carbon atoms; perfluoroalkyl of 1-4 carbon atoms, Z or V; R 5 is hydrogen, alkyl of 1-8 carbon atoms, alkenyl of 2-6 carbon atoms, alkynyl of 2-6 carbon atoms, Z, or V; n=1-6; X=0-2 or a pharmaceutically acceptable salt thereof.

  该发明提供了低分子量、非肽类的基质金属蛋白酶和TNF-α转化酶（TACE，肿瘤坏死因子-α转化酶）抑制剂，其化学式为：B其中，B为1。P和Q为2，但当P为3时，反之亦然；T、U、W和X各自独立地为碳或氮，但当T或U为碳时，可以任选一个用R1取代；Y为碳、氮、氧或硫，但至少有一个T、U、W、X和Y不为碳，并且进一步提供不超过2个T、U、W和X为氮；4为苯环或环5-6原子的杂环环，除了由W或X定义的任何杂原子外，还可以包含0-2个从氮、氧和硫中选择的杂原子，其中苯环或杂环环可以选择性地单取代、二取代或三取代R1；Z为苯、萘、杂环或与苯融合的杂环，其中杂环基团包含5-6个环原子和1-3个从氮、氧或硫中选择的杂原子；其中苯、萘、杂环或苯融合的杂环基团可以选择性地单取代、二取代或三取代R1；R1为氢、卤素、1-8个碳原子的烷基、2-6个碳原子的烯基、2-6个碳原子的炔基、3-6个碳原子的环烷基、-(CH2)nZ、-OR2、-CN、-COR2、1-4个碳原子的全氟烷基、-CONR2R3、-S(O)XR2-OPO(OR2)OR3、-PO(OR2)R3、-OC(O)NR2R3、-COOR2、-CONR2R3、-SO3H、-NR2R3、-NR2COR3、-NR2COOR3、-SO2NR2R3、-NO2、-N(R2)SO2R3、-NR2CONR2R3、-NR2C(═NR3)NR2R3、-SO2NHCOR4、-CONHSO2R4、-四唑-5-基、-SO2NHCN、-SO2NHCONR2R3或Z；V为5-7个环原子的饱和或部分不饱和的杂环烷基环，其中有1-3个从N、O或S中选择的杂原子，可以选择性地单取代或二取代R2；R2和R3各自独立地为氢、1-8个碳原子的烷基、2-6个碳原子的烯基、2-6个碳原子的炔基、3-6个碳原子的环烷基、1-4个碳原子的全氟烷基、Z或V；R4为1-8个碳原子的烷基、2-6个碳原子的烯基、2-6个碳原子的炔基、3-6个碳原子的环烷基、1-4个碳原子的全氟烷基、Z或V；R5为氢、1-8个碳原子的烷基、2-6个碳原子的烯基、2-6个碳原子的炔基、Z或V；n为1-6；X为0-2或其药学上可接受的盐。
• THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS
  申请人：Wyeth Holdings Corporation

  公开号：EP1021413B1

  公开（公告）日：2003-06-11
• DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS
  申请人：AbbVie Inc.

  公开号：EP3089970A1

  公开（公告）日：2016-11-09