1-(2-{[4-bromo-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl]oxy}pyridin-3-yl)-2-methylpropan-1-ol | 1268311-47-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-{[4-bromo-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl]oxy}pyridin-3-yl)-2-methylpropan-1-ol
• 英文别名: 1-[2-[4-Bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxypyridin-3-yl]-2-methylpropan-1-ol
• CAS: 1268311-47-2
• 化学式: C₁₉H₂₁BrN₄O₂
• 分子量: 417.305
• InChiKey: GKRRFJPDHIAOEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 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：
  73.1
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• ETHER BENZOTRIAZOLE DERIVATIVES
  申请人：Dudkin Vadim Y.

  公开号：US20120149677A1

  公开（公告）日：2012-06-14

  The present invention is directed to ether benzotriazole derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及一种乙醚苯并三唑衍生物，其为代谢型谷氨酸受体增强剂，特别是mGluR2受体，并且在治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及代谢型谷氨酸受体参与的疾病中具有用处。该发明还涉及包含这些化合物的制药组合物以及在预防或治疗代谢型谷氨酸受体参与的疾病中使用这些化合物和组合物。
• ENZYME INHIBITORS
  申请人：Donald Alastair David Graham

  公开号：US20120149736A1

  公开（公告）日：2012-06-14

  Compounds of formula (I), inhibit HDAC activity: wherein A, B and D independently represent ═CH— or ═N—; W is —CH═CH— Or —CH 2 CH 2 —; R 1 is a carboxylic acid group (—COOH), or an ester group which is hydrolysable by one or more intra-cellular carboxylesterase enzymes to a carboxylic acid group; R2 and R3 are selected from the side chains of a natural or non-nat-ural alpha amino acid, provided that neither R2 nor R3 is hydrogen, or R2 and R3, taken together with the carbon to which they are attached, form a 3-6 membered saturated cycloalkyl or heterocyclyl ring; Y is a bond, —C(═O)—, —S(═O)2—, —C(═O)O—, —C(═O)NR′—, —C(═5)—NR′, —C(═NH)NR′ or —S(═O) 2 NR — wherein R′ is hydrogen or optionally substituted C 1 —C 6 alkyl; L 1 is a divalent radical of formula —(Alk 1 ) m ,(Q) n (Alk 2 ) p — wherein m, n, p, Q, Alk 1 and Alk 2 are as defined in the claims; X 1 represents a bond; —C(═O); or —S(═O) 2 —; —NR 4 C(═O)—, —C(═O)NR 4 —,— NR 4 C(═O)NR 5 —, —NR 4 S(═O) 2 —, or —S(═O) 2 NR 4 — wherein R4 and R5 are independently hydrogen or optionally substituted C 1 -C 6 alkyl; and z is 0 or 1.

  化合物的化学式（I），抑制HDAC活性：其中A、B和D分别表示═CH—或═N—; W是—CH═CH—或—CH2CH2—; R1是羧酸基（—COOH）或一个酯基，该酯基可被一个或多个细胞内羧酸酯酶水解成羧酸基; R2和R3是从天然或非天然α氨基酸的侧链中选择的，但R2和R3都不是氢，或R2和R3与它们所连接的碳一起形成3-6个成员的饱和环烷基或杂环基; Y是一个键，—C（═O）—，—S（═O）2—，—C（═O）O—，—C（═O）NR′—，—C（═5）—NR′，—C（═NH）NR′或—S（═O）2NR—，其中R′是氢或可选取代的C1-C6烷基; L1是具有公式—（Alk1）m，（Q）n（Alk2）p的二价基团，其中m、n、p、Q、Alk1和Alk2如权利要求中所定义; X1表示一个键;—C（═O）;或—S（═O）2—;—NR4C（═O）—，—C（═O）NR4—，—NR4C（═O）NR5—，—NR4S（═O）2—或—S（═O）2NR4—其中R4和R5独立地是氢或可选取代的C1-C6烷基; z为0或1。
• US8975286B2
  申请人：——

  公开号：US8975286B2

  公开（公告）日：2015-03-10