dihydro-2H-pyran-4(3H)-one O-tosyl oxime | 61108-59-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dihydro-2H-pyran-4(3H)-one O-tosyl oxime
• 英文别名: (Oxan-4-ylidene)amino 4-methylbenzene-1-sulfonate；(oxan-4-ylideneamino) 4-methylbenzenesulfonate
• CAS: 61108-59-6
• 化学式: C₁₂H₁₅NO₄S
• 分子量: 269.321
• InChiKey: DLWJEJWZGOLDHZ-UHFFFAOYSA-N

物化性质

• 熔点：
  118 °C
• 沸点：
  415.7±55.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  73.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dihydro-2H-pyran-4(3H)-one O-tosyl oxime 在 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 生成 1,4-氧代氮杂烷-5-酮
  参考文献：
  名称：

  Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases

  摘要：

  A series of 3- and 5-imino analogs from oxazepane, thiazepane, and diazepane was prepared and evaluated as inhibitors of human nitric oxide synthesis (NOS). The most potent iNOS inhibitor was the thiazepane analog 25 (IC50 = 0.19 muM). (C) 2004 Elsevier Ltd. All rielits reserved.

  DOI：

  10.1016/j.bmcl.2004.09.019
• 作为产物：
  描述：

  四氢吡喃酮 在 4-二甲氨基吡啶 、 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 13.0h， 生成 dihydro-2H-pyran-4(3H)-one O-tosyl oxime
  参考文献：
  名称：

  [EN] FUSED TRICYCLIC COMPOUNDS FOR USE AS INHIBITORS OF JANUS KINASES
  [FR] COMPOSÉS TRICYCLIQUES FUSIONNÉS UTILISÉS EN TANT QU'INHIBITEURS DES JANUS KINASES

  摘要：

  这项发明提供了具有通式（I）的新化合物，其通式为（I），其中R1、V、W、X、Y和Z如本文所述。因此，这些化合物可以制备成药用合适的组合物，并用于治疗免疫性或过度增殖性疾病。

  公开号：

  WO2013007765A1

文献信息

• [EN] FUSED TRICYCLIC COMPOUNDS FOR USE AS INHIBITORS OF JANUS KINASES<br/>[FR] COMPOSÉS TRICYCLIQUES FUSIONNÉS UTILISÉS EN TANT QU'INHIBITEURS DES JANUS KINASES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013007765A1

  公开（公告）日：2013-01-17

  The invention provides novel compounds of formula (I) having the general formula (I) wherein R1, V, W, X, Y and Z are as described herein. Accordingly, the compounds may be provided in pharmaceutically acceptable compositions and used for the treatment of immunological or hyperproliferative disorders.

  这项发明提供了具有通式（I）的新化合物，其通式为（I），其中R1、V、W、X、Y和Z如本文所述。因此，这些化合物可以制备成药用合适的组合物，并用于治疗免疫性或过度增殖性疾病。
• 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1636217B1

  公开（公告）日：2008-09-03
• [EN] 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS<br/>[FR] 2-IMIDAZO-BENZOTHIAZOLES CONSTITUANT DES LIGANDS DU RECEPTEUR DE L'ADENOSINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004101558A1

  公开（公告）日：2004-11-25

  The invention relates to 2-imidazo-benzothiazoles of general formula (I), wherein R1 is phenyl or a N and/or O containing heterocycle; R2 is an imidazol or an annulated imidazol, selected from the group consisting of formulae a), b), c), d) or e); R3 is hydrogen, phenyl, 2,3-dihydro-benzo [1,4] dioxin-6-yl, benzo [b] thiophen-3-yI, 3-methyl-benzo[b]thiophen-2-yl, thiophen-2-yl,thiophen-3-yl or thiophen-2-yl-methyl, R4 is hydrogen,-(CH2)nO-lower alkyl or lower alkyl; R5 is hydrogen, lower alkyl, halogen, morpholinyl, -NR'R', piperidinyl, optionally substituted by hydroxy, or is pyrrolidin- l-yl; R6 is hydrogen, benzyl or -(CH2)nO-lower alkyl, R7 is hydrogen, -C(O)O-lower alkyl, -C(O)-C6H4-halogen, -C(O)-C6H4-lower alkyl, -C(O)-lower alkyl, -C(O)-cycloalkyl, -C(O)-NR'R', -C(O)-(CH2)nO-lower alkyl, -S(O)2-lower alkyl, -(CH2)nO-lower alkyl, -C(O) -pyridin-4-yl, which ring may be substituted by lower alkyl, halogen-lower alkyl or by pyrrol-l-yl-methyl, or is -(CH2)n-C(O)-­NR'R'; R’/R’’ are independently from each other hydrogen, lower alkyl or -(CH2)n-tetrahydropyran-4-yl, X is -CH2-,-NR’’’-or-O-; R’’’ is hydrogen, -C(O)-lower alkyl, -C(O)O-lower alkyl, -C(O)-C6H4CH3, or benzyl; n is 1or 2; and to pharmaceutically acceptable acid addition salts thereof. These compounds are adenosine receptor ligands and therefore suitable for tha treatment of diseases related to this receptor.
• Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases
  作者：K. Shankaran、Karla L. Donnelly、Shrenik K. Shah、Charles G. Caldwell、Ping Chen、William K. Hagmann、Malcolm MacCoss、John L. Humes、Stephen G. Pacholok、Theresa M. Kelly、Stephan K. Grant、Kenny K. Wong

  DOI：10.1016/j.bmcl.2004.09.019

  日期：2004.12

  A series of 3- and 5-imino analogs from oxazepane, thiazepane, and diazepane was prepared and evaluated as inhibitors of human nitric oxide synthesis (NOS). The most potent iNOS inhibitor was the thiazepane analog 25 (IC50 = 0.19 muM). (C) 2004 Elsevier Ltd. All rielits reserved.