4-[2-(4-methyl-benzoylamino)-4-methoxy-benzothiazol-7-yl]-piperidine-1-carboxylic acid tert-butyl ester | 554411-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-[2-(4-methyl-benzoylamino)-4-methoxy-benzothiazol-7-yl]-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-[4-methoxy-2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylate；tert-butyl 4-[4-methoxy-2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylate
• CAS: 554411-98-2
• 化学式: C₂₆H₃₁N₃O₄S
• 分子量: 481.616
• InChiKey: QBCTUXAXPNVNKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-{4-methoxy-2-[(2-methyl-pyridine-4-carbonyl)-amino]-benzothiazol-7-yl}-piperidine-1-carboxylic acid tert-butyl ester 、 4-[4-methoxy-2-(4-{[(2-methoxy-ethyl)-methyl-amino]-methyl}-benzoylamino)-benzothiazol-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 、 4-[2-(4-methyl-benzoylamino)-4-methoxy-benzothiazol-7-yl]-piperidine-1-carboxylic acid tert-butyl ester 、 N-[7-(piperidin-4-yl)-4-methoxy-benzothiazol-2-yl]-4-methyl-benzamide hydrochloride 、 N-[7-(piperidin-4-yl)-4-methoxy-benzothiazol-2-yl]-4-{[(2-methoxy-ethyl)-methyl-amino]-methyl}-benzamide hydrochloride 在 palladium-carbon 作用下， 以 四氢呋喃 、 盐酸 、 甲醇 、 乙醚 、 异丙醇 为溶剂， 生成 4-[4-Methoxy-2-(4-[(2-methoxy-ethyl)-methyl-amino]-methyl-benzoylamino)-benzothiazol-7-yl]-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Benzothiazoles

  摘要：

  本发明涉及公式1中的化合物，其中R1和R2如所述。公式I的化合物被发现是腺苷受体配体。具体而言，本发明的化合物对A2A受体具有良好的亲和力，可用于治疗与该受体相关的疾病。

  公开号：

  US20030144288A1

文献信息

• BENZOTHIAZOLES
  申请人：F. Hoffman-la Roche AG

  公开号：EP1456202A1

  公开（公告）日：2004-09-15
• US6734179B2
  申请人：——

  公开号：US6734179B2

  公开（公告）日：2004-05-11
• [EN] BENZOTHIAZOLES<br/>[FR] BENZOTHIAZOLES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2003053961A1

  公开（公告）日：2003-07-03

  The present invention relates to compounds of the general formula (1), wherein R1 3,6-dihydro-2H-pyran-4-yl, 5,6-dihydro-4H-pyran-3-yl, t,6-dihydro-4H-pyran-2-yl, tetrahydropyran-2,3 or 4-yl, cyclohex-1-enyl, cyclohexyl or is 1,2,3,6-tetrahydro-pyridin-4yl or piperidin-4-yl, which are optionally substituted C(O)CH3in the 1-position of the N-atom; R2 is lower alkyl, piperidin-1yl, optionally substituted by hydroxy, or is phenyl, optionally substituted by (CH2)n-N(R')-C(O)-(CH2)n-NR'2,-(CH2)n-halogen, lower alkyl or (CH2)n-O-lower alkyl, or is morpholinyl or is pyridinyl, which is optionally substituted by halogen, -N(R')-(CH2)n-O-lower alkyl, lower alkyl, lower alkoxy, morpholinyl or (CH2)n-pyrrolidinyl; n is 0, 1 or 2; R' is hydrogen or lower alkyl, and to pharmaceutically acceptable acid addition salts thereof. It has been found that the compounds of general formula I are adenosine receptor ligands. Specifically, the compounds of the present invention have a good affinity to the A2A-receptor and they may be used in the treatment of diseases, related to this receptor.
• Benzothiazoles
  申请人：——

  公开号：US20030144288A1

  公开（公告）日：2003-07-31

  The present invention relates to compounds of the formula 1 wherein R1 and R2 are as described within. The compounds of formula I have been found to be adenosine receptor ligands. Specifically, the compounds of the present invention have a good affinity to the A 2A -receptor and they may be used in the treatment of diseases, related to this receptor.

  本发明涉及公式1中的化合物，其中R1和R2如所述。公式I的化合物被发现是腺苷受体配体。具体而言，本发明的化合物对A2A受体具有良好的亲和力，可用于治疗与该受体相关的疾病。