10,11-dihydro-2-nitro-dibenzo[b,f]thiepin-10-one | 42191-07-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 10,11-dihydro-2-nitro-dibenzo[b,f]thiepin-10-one
• 英文别名: 2-Nitro-10-oxo-dibenzo[b,f]thiepine；3-nitro-5H-benzo[b][1]benzothiepin-6-one
• CAS: 42191-07-1
• 化学式: C₁₄H₉NO₃S
• 分子量: 271.296
• InChiKey: QTZKTTPFMVPDKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  88.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  10,11-dihydro-2-nitro-dibenzo[b,f]thiepin-10-one 以93%的产率得到
  参考文献：
  名称：

  SINDELAR K.; HOLUBEK J.; DLABAC A.; BARTOSOVA M.; PROTIVA M., COLLECT. CZECH. CHEM. COMMUNS , 1977, 42, NO 7, 2231-2239

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-5-硝基苯甲醛 在 氯化亚砜 、 PPA 、 sodium borohydrid 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 吡啶 、 sodium hydroxide 、 乙醇 、 氯仿 、 水 为溶剂， 生成 10,11-dihydro-2-nitro-dibenzo[b,f]thiepin-10-one
  参考文献：
  名称：

  10,11-Dihydro-dibenzo(b,f)thiepin derivatives

  摘要：

  通式为##STR1##的二苯并噻吩衍生物，其中m、n、R.sub.1、R.sub.2、R.sub.3和X如下所述，以及其盐，以及其制备方法被揭示。最终产品可用作中枢抑制剂和神经阻滞剂。

  公开号：

  US04006144A1

文献信息

• 10,11-Dihydro dibenzo(b,f)thiepin derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US04006145A1

  公开（公告）日：1977-02-01

  Dibenzothiepin derivatives of the general formula ##STR1## wherein m, n, R.sub.1, R.sub.2, R.sub.3 and X are as hereinafter set forth, and salts thereof as well as processes for their manufacture are disclosed. The end products are useful as central-depressant and neuroleptic agents.

  本发明揭示了通式##STR1##中m，n，R.sub.1，R.sub.2，R.sub.3和X的二苯并噻吩衍生物，以及其盐和制备过程。该终产品可用作中枢抑制剂和神经乐静剂。
• Dopamine receptor ligands
  申请人：Allelix Biopharmaceuticals Inc.

  公开号：US05538965A1

  公开（公告）日：1996-07-23

  Described herein are D4 receptor-selective compounds of the general formula: ##STR1## wherein: A and B are independently selected, optionally substituted, saturated or unsaturated 5- or 6-membered, homo- or heterocyclic rings; X.sub.1 is selected from CH.sub.2, O, NH, S, C.dbd.O, CH--OH, CH--N(C.sub.1-4 alkyl).sub.2, C.dbd.CHCl, C.dbd.CHCN, N-C.sub.1-4 alkyl, N-acetyl, SO.sub.2 and SO; X.sub.2 -- is selected from N.dbd., CH.sub.2 --, CH.dbd., C(O)--, O--, and S--; R.sub.1 represents C.sub.1-4 alkyl; Y is selected from CH and N; n is 0, 1 or 2; q is 1 or 2; R.sub.2 is C.sub.1-6 alkyl optionally incorporating a heteroatom selected from N, O and S; D is cyclohexane or benzene; and E is a saturated or unsaturated 5- or 6-membered heterocycle incorporating 1, 2 or 3 heteroatoms selected from O, N, and S, wherein E is optionally substituted with 1 or 2 substituents selected from halogen, C.sub.1-4 alkyl and halogen-substituted C.sub.1-4 alkyl; and acid addition salts, solvates and hydrates thereof. Their use as ligands for dopamine receptor identification and in a drug screening program, and as pharmaceuticals to treat indications in which the D4 receptor is implicated, such as schizophrenia, is also described.

  本文描述了D4受体选择性化合物的一般式：##STR1## 其中：A和B分别选择，可选择性置换，饱和或不饱和的5或6元环或杂环；X.sub.1选择自CH.sub.2，O，NH，S，C.dbd.O，CH--OH，CH--N（C.sub.1-4烷基）.sub.2，C.dbd.CHCl，C.dbd.CHCN，N-C.sub.1-4烷基，N-乙酰基，SO.sub.2和SO；X.sub.2--选择自N.dbd.，CH.sub.2--，CH.dbd.，C（O）--，O--和S--；R.sub.1代表C.sub.1-4烷基；Y选择自CH和N；n为0，1或2；q为1或2；R.sub.2为C.sub.1-6烷基，可包含从N，O和S选择的杂原子；D为环己烷或苯；E为饱和或不饱和的5或6元杂环，包含从O，N和S选择的1，2或3个杂原子，其中E可选择性地用1或2个取代基选择自卤素，C.sub.1-4烷基和卤素取代的C.sub.1-4烷基；以及它们的酸加成盐，溶剂合物和水合物。本文还描述了它们作为多巴胺受体配体的用途，用于药物筛选计划，并用作治疗D4受体相关症状，如精神分裂症的药物。
• N-methyl piperazine compounds having dopamine receptor affinity
  申请人：Allelix Biopharmaceuticals, Inc.

  公开号：US05700445A1

  公开（公告）日：1997-12-23

  Described herein are D4 receptor-selective compounds of the general formula: ##STR1## wherein X.sub.1 is selected from CH.sub.2, NH, O and S; X.sub.2 - - is selected from CH.dbd., CH.sub.2 13 , and N.dbd.; R.sub.1 to R.sub.8 are each independently selected from H, C.sub.1-4 alkyl, halo, cyano, nitro and halo-substituted C.sub.1-4 alkyl and acid addition salts, solvates and hydrates thereof. Their use as ligands for dopamine receptor identification and in a drug screening program, and as pharmaceuticals to treat indications in which the D4 receptor is implicated, such as schizophrenia, is also described.

  本文描述了一般式为：##STR1## 的D4受体选择性化合物，其中X.sub.1从CH.sub.2、NH、O和S中选择；X.sub.2-从CH.dbd.、CH.sub.2 13和N.dbd.中选择；R.sub.1到R.sub.8各自独立地选择自H、C.sub.1-4烷基、卤、氰、硝基和卤代C.sub.1-4烷基以及它们的酸加合物、溶剂化合物和水合物。本文还描述了它们作为多巴胺受体配体用于鉴定和药物筛选计划，以及作为药物治疗D4受体所涉及的精神分裂症等适应症的用途。
• N- methyl piperazine compounds having dopamine receptor affinity
  申请人：Allelix Biopharmaceuticals, Inc.

  公开号：US05968478A1

  公开（公告）日：1999-10-19

  Described herein are D4 receptor-selective compounds of the general formula: ##STR1## wherein X.sub.1 is selected from CH.sub.2, NH, O and S; X.sub.2 -- is selected from CH=, CH.sub.2 --, and N=; R.sub.1 to R.sub.8 are each independently selected from H, C.sub.1-4 alkyl, halo, cyano, nitro and halo-substituted C.sub.1-4 alkyl and acid addition salts, solvates and hydrates thereof. Their use as ligands for dopamine receptor identification and in a drug screening program, and as pharmaceuticals to treat indications in which the D4 receptor is implicated, such as schizophrenia, is also described.

  本文描述了一般式为：##STR1## 的D4受体选择性化合物，其中X.sub.1选自CH.sub.2，NH，O和S; X.sub.2选自CH=，CH.sub.2-和N=; R.sub.1至R.sub.8各自独立地选自H，C.sub.1-4烷基，卤素，氰基，硝基和卤素取代的C.sub.1-4烷基及其酸加合物，溶剂化合物和水合物。还描述了它们作为多巴胺受体标识的配体和药物筛选计划中的使用，以及作为治疗D4受体有所涉及的疾病，如精神分裂症的药物。
• US06103715
  申请人：——

  公开号：——

  公开（公告）日：——