N-(benzyloxy)-6-[(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-ylcarbamoyl)amino]hexanamide | 1122597-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(benzyloxy)-6-[(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-ylcarbamoyl)amino]hexanamide
• 英文别名: 6-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-ylcarbamoylamino)-N-phenylmethoxyhexanamide
• CAS: 1122597-82-3
• 化学式: C₂₅H₃₀N₄O₃
• 分子量: 434.538
• InChiKey: XXTVBUGPGVBYAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  84.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(benzyloxy)-6-[(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-ylcarbamoyl)amino]hexanamide 在 palladium 10% on activated carbon 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以30%的产率得到6-[(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-ylcarbamoyl)amino]-N-hydroxyhexanamide
  参考文献：
  名称：

  [EN] HDAC INHIBITORS
  [FR] INHIBITEURS DES HDAC

  摘要：

  公开号：

  WO2009026446A9
• 作为产物：
  描述：

  1-isocyanato-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline 、 6-amino-N-(benzyloxy)hexanamide hydrochloride 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以67%的产率得到N-(benzyloxy)-6-[(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-ylcarbamoyl)amino]hexanamide
  参考文献：
  名称：

  [EN] HDAC INHIBITORS
  [FR] INHIBITEURS DES HDAC

  摘要：

  公开号：

  WO2009026446A9

文献信息

• [EN] NOVEL UREA AND THIOUREA DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS D'URÉE ET DE THIOURÉE
  申请人：TOPOTARGET AS

  公开号：WO2010023307A1

  公开（公告）日：2010-03-04

  The present application discloses compounds of formula (I) wherein X is =O, =S, =NH, =NOH and =NO-Me; A is -C(=O)-, -S(=O)2 -, -C(=S)- and P(=O)(R5)-; B is, -O-, -(CH2) 3-6-, and O-(CH2)2-5-; D is, -O-, -CR7R8 -and -NR9; m is 0-12, n is 0-12, m+n is 1-20; p is 0-4; R1 is opt.sub. heteroaryl; and pharmaceutically acceptable salts thereof, and prodrugs thereof. The application also discloses the compound for use as a medicament for the treatment of a disease or a condition caused by an elevated level of nicotinamide phosphoribosyltransferase (NAMPRT), e.g. inflammatory and tissue repair disorders; dermatosis; autoimmune diseases, Alzheimers disease, stroke, athersclerosis, restenosis, diabetes, glomerulonephritis, cancer, cachexia, inflammation associated with infection and certain viral infections, including Acquired Immune Deficiency Syndrome (AIDS), adult respiratory distress syndrome, ataxia telengiectasia.

  本申请公开了以下式(I)的化合物，其中X为=O、=S、=NH、=NOH和=NO-Me；A为-C(=O)-、-S(=O)2-、-C(=S)-和P(=O)(R5)-；B为-O-、-(CH2)3-6-和O-(CH2)2-5-；D为-O-、-CR7R8-和-NR9；m为0-12，n为0-12，m+n为1-20；p为0-4；R1为opt.sub.杂环烷基；以及其药学上可接受的盐和前药。该申请还公开了该化合物用作治疗由尼克酰胺磷酸核糖转移酶(NAMPRT)水平升高引起的疾病或症状的药物，例如炎症和组织修复紊乱；皮肤病；自身免疫疾病，阿尔茨海默病，中风，动脉粥样硬化，再狭窄，糖尿病，肾小球肾炎，癌症，虚弱症，与感染相关的炎症和某些病毒感染，包括获得性免疫缺陷综合症（AIDS），成人呼吸窘迫综合征，遗传性共济失调。
• HDAC Inhibitors
  申请人：Ashwell Mark A.

  公开号：US20100261710A1

  公开（公告）日：2010-10-14

  The present invention provides hydroxamic acid compounds, and methods of preparation of these compounds. The present invention also relates to pharmaceutical compositions comprising the hydroxamic acid compounds. The present invention provides methods of treating a cell proliferative disorder, such as a cancer, by administering to a subject in need thereof a therapeutically effective amount of a compound of the present invention.

  本发明提供了羟肟酸化合物以及这些化合物的制备方法。本发明还涉及包含羟肟酸化合物的药物组合物。本发明提供了治疗细胞增殖性疾病（如癌症）的方法，通过向需要治疗的受试者施用本发明化合物的治疗有效剂量。
• NOVEL UREA AND THIOUREA DERIVATIVES
  申请人：Christensen Mette Knak

  公开号：US20120010172A1

  公开（公告）日：2012-01-12

  The present application discloses compounds of formula (I) wherein X is ═O, ═S, ═NH, ═NOH and ═NO-Me; A is —C(═O)—, —S(═O) 2 —, —C(═S)— and P(═O)(R 5 )—; B is, —O—, —(CH 2 ) 3-6 —, and O—(CH 2 ) 2-5 —; D is, —O—, —CR 7 R 8 — and —NR 9 ; m is 0-12, n is 0-12, m+n is 1-20; p is 0-4; R 1 is opt.sub. heteroaryl; and pharmaceutically acceptable salts thereof, and prodrugs thereof. The application also discloses the compound for use as a medicament for the treatment of a disease or a condition caused by an elevated level of nicotinamide phosphoribosyltransferase (NAMPRT), e.g. inflammatory and tissue repair disorders; dermatosis; autoimmune diseases, Alzheimers disease, stroke, athersclerosis, restenosis, diabetes, glomerulonephritis, cancer, cachexia, inflammation associated with infection and certain viral infections, including Acquired Immune Deficiency Syndrome (AIDS), adult respiratory distress syndrome, ataxia telengiectasia.
• US8871747B2
  申请人：——

  公开号：US8871747B2

  公开（公告）日：2014-10-28
• [EN] HDAC INHIBITORS<br/>[FR] INHIBITEURS DES HDAC
  申请人：ARQULE INC

  公开号：WO2009026446A9

  公开（公告）日：2010-03-11