1,2-Diamino-4-chlor-5-methylbenzol (Hydrochlorid) | 149689-78-1

• 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: 1,2-Diamino-4-chlor-5-methylbenzol (Hydrochlorid)
• 英文别名: 4-chloro-5-methyl-benzene-1,2-diamine; monohydrochloride；1,2-diamino-4-chloro-5-methylbenzene hydrochloride；4-Chloro-5-methylbenzene-1,2-diamine hydrochloride；4-chloro-5-methylbenzene-1,2-diamine;hydrochloride
• CAS: 149689-78-1
• 化学式: C₇H₉ClN₂*ClH
• 分子量: 193.076
• InChiKey: XSTKCUVPIBEBMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  52
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2-Diamino-4-chlor-5-methylbenzol (Hydrochlorid) 在 氯化亚砜 作用下， 生成 5-氯-6-甲基-2,1,3-苯并噻二唑
  参考文献：
  名称：

  Sharma,K.S. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1976, vol. 14, p. 1001 - 1003

  摘要：

  DOI：

文献信息

• Quinoxaline derivatives useful in therapy
  申请人：Pfizer, Inc.

  公开号：US05863917A1

  公开（公告）日：1999-01-26

  The invention provides compounds of formula I, ##STR1## wherein R.sup.1 and R.sup.2 independently represent Cl or C.sub.1-6 alkyl; R.sup.3 represents XCO.sub.2 R.sup.4, XCONHSO.sub.2 R.sup.5, YNHSO.sub.2 R.sup.5 or XR.sup.6 ; R.sup.4 represents H or C.sub.1-6 alkyl (optionally substituted by aryl or heterocyclyl); R.sup.5 represents CF.sub.3, heterocyclyl or C.sub.1-6 alkyl (optionally substituted by aryl or heterocyclyl); R.sup.6 represents an acidic heterocycle; X represents a C.sub.1-6 alkyl diradical (optionally subsituted by aryl or heterocyclyl); and Y represents a C.sub.2-6 alkyl diradical (optionally substituted by aryl or heterocyclyl); provided that when R.sup.1 and R.sup.2 each represent Cl, then R.sup.3 does not represent CH.sub.2 CO.sub.2 H, CH.sub.2 CO.sub.2 CH.sub.3, CH.sub.2 CH.sub.2 NHSO.sub.2 CF.sub.3 or 5-tetrazolylmethyl; and pharmaceutically acceptable salts thereof. The compounds are indicated as anxiolytics, anticonvulsants, analgesics and neuroprotectives.

  该发明提供了一种式为I的化合物，其中R.sup.1和R.sup.2独立地代表Cl或C.sub.1-6烷基；R.sup.3代表XCO.sub.2R.sup.4，XCONHSO.sub.2R.sup.5，YNHSO.sub.2R.sup.5或XR.sup.6；R.sup.4代表H或C.sub.1-6烷基（可选择地被芳基或杂环烷基取代）；R.sup.5代表CF.sub.3，杂环烷基或C.sub.1-6烷基（可选择地被芳基或杂环烷基取代）；R.sup.6代表酸性杂环；X代表C.sub.1-6烷基二自由基（可选择地被芳基或杂环烷基取代）；Y代表C.sub.2-6烷基二自由基（可选择地被芳基或杂环烷基取代）；前提是当R.sup.1和R.sup.2均代表Cl时，R.sup.3不代表CH.sub.2CO.sub.2H，CH.sub.2CO.sub.2CH.sub.3，CH.sub.2CH.sub.2NHSO.sub.2CF.sub.3或5-四唑甲基；以及其药学上可接受的盐。这些化合物被指示为抗焦虑剂，抗癫痫剂，镇痛剂和神经保护剂。
• Quinoxalinediones
  申请人：Pfizer Inc

  公开号：US06376490B1

  公开（公告）日：2002-04-23

  The invention provides compounds of the formula (I) or a pharmaceutically acceptable salt thereof, wherein R is a 5-membered ring heteroaryl group containing 3 or 4 nitrogen heteroatoms which is linked to the quinoxalinedione ring by a ring carbon or nitrogen atom said group being optionally benzo-fused and optionally substituted, including in the benzo-fused portion, by 1 or 2 substituents each independently selected from C1-C4 alkyl, C2-C4 alkenyl, C3-C7 cycloalkyl, halo, hydroxy, C1-C4 alkoxy, C3-C7 cycloalkyloxy, —COOH, C1-C4 alkoxycarbonyl, —CONR3R4, —NR3R4, —S(O)p(C1-C4 alkyl), —SO2NR3R4, aryl, aryloxy, aryl(C1-C4)alkoxy, and het, said C1-C4alkyl being optionally substituted by C3-C7 cycloalkyl, halo, hydroxy, C1-C4 alkoxy, halo(C1C4)alkoxy, C3-C7 cycloalkyloxy, C3-C7 cycloalkyl (C1-C4) alkoxy, —COOH, C1-C4 alkoxycarbonyl, —CONR3R4, —NR3R4,—S(O)p(C1-C4 alkyl), —SO2(aryl), —SO2NR3R4 morpholino, aryl, aryloxy, aryl(C1-C4)alkoxy or het, and said C2-C4 alkenyl being optionally substituted by aryl; and R1 and R2 are each independently selected from H, fluoro, chloro, bromo, C1-C4 alkyl and halo(C1-C4)alkyl. The compounds are useful as NDMA receptor antagonists for treating acute neurodegenerative and chronic neurological disorders.

  本发明提供了化合物(I)或其药学上可接受的盐，其中R是一个5元环杂芳基基团，包含3或4个氮杂原子，该基团通过一个环碳或环氮原子与喹哌啉二酮环相连，该基团可以选择苯并和选择性取代，在苯并部分中，每个独立选择自C1-C4烷基，C2-C4烯基，C3-C7环烷基，卤素，羟基，C1-C4烷氧基，C3-C7环烷氧基，-COOH，C1-C4烷氧羰基，-CONR3R4，-NR3R4，-S（O）p（C1-C4烷基），-SO2NR3R4，芳基，芳基氧基，芳基（C1-C4）烷氧基和杂环中的1或2个取代基，所述C1-C4烷基可以选择性地被C3-C7环烷基，卤素，羟基，C1-C4烷氧基，卤素（C1C4）烷氧基，C3-C7环烷氧基，C3-C7环烷基（C1-C4）烷氧基，-COOH，C1-C4烷氧羰基，-CONR3R4，-NR3R4，-S（O）p（C1-C4烷基），-SO2（芳基），-SO2NR3R4，吗啉基，芳基，芳基氧基，芳基（C1-C4）烷氧基或杂环取代，所述C2-C4烯基可以选择性地被芳基取代；R1和R2各自独立选择自H，氟，氯，溴，C1-C4烷基和卤素（C1-C4）烷基。这些化合物可用作NDMA受体拮抗剂，用于治疗急性神经退行性和慢性神经疾病。
• QUINOXALINEDIONES
  申请人：Pfizer Research and Development Company, N.V./S.A.

  公开号：EP0885212B1

  公开（公告）日：2001-11-14
• US5863917A
  申请人：——

  公开号：US5863917A

  公开（公告）日：1999-01-26
• US6376490B1
  申请人：——

  公开号：US6376490B1

  公开（公告）日：2002-04-23