N-((S)-1-carbamoyl-2,2-diphenylethyl)-5-guanidino-(S)-2-(N'-(4-methyl-1-naphthalenesulfonyl)amino)pentanamide | 848768-56-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-((S)-1-carbamoyl-2,2-diphenylethyl)-5-guanidino-(S)-2-(N'-(4-methyl-1-naphthalenesulfonyl)amino)pentanamide
• 英文别名: (2S)-N-[(2S)-1-amino-1-oxo-3,3-diphenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]pentanamide
• CAS: 848768-56-9
• 化学式: C₃₂H₃₆N₆O₄S
• 分子量: 600.742
• InChiKey: FUDPYFBVVLVMCT-WNJJXGMVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  191
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (S,S)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminochromium(III) chloride 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以16.4%的产率得到N-((S)-1-carbamoyl-2,2-diphenylethyl)-5-guanidino-(S)-2-(N'-(4-methyl-1-naphthalenesulfonyl)amino)pentanamide
  参考文献：
  名称：

  [EN] SOMATOSTATIN RECEPTOR 1 AND/OR 4 SELECTIVE AGONISTS AND ANTAGONISTS
  [FR] AGONISTES ET ANTAGONISTES SELECTIFS DU RECEPTEUR DE LA SOMATOSTATINE 1 ET/OU 4

  摘要：

  这项发明涉及基于(杂)芳基磺酰胺的肽类模拟物，其化学式为(I)，其中R1、R2、R3、A、B、D、Q、k和n的定义如所披露的，或其药学上可接受的盐或酯。化合物的化学式(I)具有对生长抑素受体亚型SSTR1和/或SSTR4的高亲和力和选择性，并可用于治疗或诊断需要与SSTR1和/或SSTR4相互作用的疾病或病况。

  公开号：

  WO2005033069A1

文献信息

• Sulfonylamino-peptidomimetics active on the somatostatin receptor subtypes 4 (sstr4) and 1 (sstr1)
  申请人：Tomperi Jussi

  公开号：US20070129313A1

  公开（公告）日：2007-06-07

  The invention relates to 1-naphthalenesulfonylamino based peptidomimetics of formula (I), wherein B, R1 and R2 are as defined in the claims, and pharmaceutically acceptable salts thereof. Compounds of formula (I) possess high affinity and selectivity for the somatostatin receptor subtype SSTR4 or the somatostatin receptor subfamily SSTR1/SSTR4.

  本发明涉及基于1-萘磺酰胺的肽类类似物式(I)，其中B、R1和R2如权利要求中所定义，以及其药学上可接受的盐。式(I)化合物具有对生长抑素受体亚型SSTR4或生长抑素受体亚家族SSTR1 / SSTR4高亲和力和选择性。
• SOMATOSTATIN RECEPTOR 1 AND/OR 4 SELECTIVE AGONISTS AND ANTAGONISTS
  申请人：Wurster, Siegfried

  公开号：EP1675824B1

  公开（公告）日：2010-09-29
• SULFONYLAMINO-PEPTIDOMIMETICS ACTIVE ON THE SOMATOSTATIN RECEPTOR SUBTYPES 4 (SSTR4) AND 1 (SSTR1)
  申请人：Wurster, Siegfried

  公开号：EP1678196B1

  公开（公告）日：2008-08-13
• Somatostatin receptor 1 and/or 4 selective agonists and antagonists
  申请人：Tomperi Jussi

  公开号：US20070129422A1

  公开（公告）日：2007-06-07

  The invention relates to (hetero)arylsulfonylamino based peptidomimetics of formula (I), wherein R1, R2, R3, A, B, D, Q, k and n are defined as disclosed, or a pharmaceutically acceptable salt or ester thereof. Compounds of formula (I) possess high affinity and selectivity for the somatostatin receptor subtypes SSTR1 and/or SSTR4 and can be used for the treatment or diagnosis of diseases or conditions wherein an interaction with SSTR1 and/or SSTR4 is indicated to be useful.
• Somatostatin Receptor 1 and/or 4 Selective Agonists and Antagonists
  申请人：Tomperi Jussi

  公开号：US20100004339A1

  公开（公告）日：2010-01-07

  The invention relates to (hetero)arylsulfonylamino based peptidomimetics of formula (I), wherein R1, R2, R3, A, B, D, Q, k and n are defined as disclosed, or a pharmaceutically acceptable salt or ester thereof. Compounds of formula (I) possess high affinity and selectivity for the somatostatin receptor subtypes SSTR1 and/or SSTR4 and can be used for the treatment or diagnosis of diseases or conditions wherein an interaction with SSTR1 and/or SSTR4 is indicated to be useful.