N-(3-chlorophenyl)-N-[[3-[[[methyl[(phenyl-methoxy)carbonyl]amino]acetyl]-amino]phenyl]sulfonyl]-glycine, 1-methylethyl ester

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(3-chlorophenyl)-N-[[3-[[[methyl[(phenyl-methoxy)carbonyl]amino]acetyl]-amino]phenyl]sulfonyl]-glycine, 1-methylethyl ester
• 英文别名: Isopropyl [{[3-({[[(benzyloxy)carbonyl](methyl)amino]acetyl}amino)phenyl]sulfonyl}(3-chlorophenyl)amino]acetate；propan-2-yl 2-(3-chloro-N-[3-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]phenyl]sulfonylanilino)acetate
• 化学式: C₂₈H₃₀ClN₃O₇S
• 分子量: 588.081
• InChiKey: GFXYKJYSUULFGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  131
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  isopropyl[[(3-aminophenyl)sulfonyl](3-chlorophenyl)amino]acetate 、 苄氧羰酰基肌氨酸 在 N-甲基吗啉 、 N-羟基-7-氮杂苯并三氮唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以38%的产率得到N-(3-chlorophenyl)-N-[[3-[[[methyl[(phenyl-methoxy)carbonyl]amino]acetyl]-amino]phenyl]sulfonyl]-glycine, 1-methylethyl ester
  参考文献：
  名称：

  Sulfonyl amide inhibitors of calcium channel function

  摘要：

  化合物I的立体异构体、溶剂合物和盐类，其中：a、b、c、d、f、n、m和Ra的定义如下，是钙通道功能的抑制剂，并且在治疗依赖于钙通道的疾病，包括高血压方面具有用处。

  公开号：

  US20050245535A1

文献信息

• Design and SAR of selective T-type calcium channel antagonists containing a biaryl sulfonamide core
  作者：Jon J. Hangeland、Daniel L. Cheney、Todd J. Friends、Stephen Swartz、Paul C. Levesque、Adam J. Rich、Lucy Sun、Terry R. Bridal、Leonard P. Adam、Diane E. Normandin、Natesan Murugesan、William R. Ewing

  DOI：10.1016/j.bmcl.2007.11.103

  日期：2008.1

  T-type calcium channel antagonists were designed using a protocol involving the program SPROUT and constrained by a ComFA-based pharmacophore model. Scaffolds generated by SPROUT were evaluated based on their ability to be translated into structures that were synthetically tractable. From this exercise, a novel series of potent and selective T-type channel antagonists containing a biaryl sulfonamide core were discovered. (c) 2007 Elsevier Ltd. All rights reserved.
• USES, COMPOSITIONS AND METHODS
  申请人：Fisahn Andre

  公开号：US20210038589A1

  公开（公告）日：2021-02-11

  The present invention relates generally to calcium channel inhibitors for use in treating and/or preventing an amyloid disease of the nervous system. The invention also relates to related pharmaceutical compositions, kits and screening methods.
• T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF
  申请人：Praxis Precision Medicines, inc.

  公开号：US20210128537A1

  公开（公告）日：2021-05-06

  Described herein are compounds useful for preventing and/or treating a disease or condition relating to aberrant function of a T-type calcium channel, such as epilepsy and epilepsy syndromes (e.g., absence seizures, juvenile myoclonic epilepsy, or a genetic epilepsy) and mood disorders. The present invention further comprises methods for modulating the function of a T-type calcium channel.
• US7504431B2
  申请人：——

  公开号：US7504431B2

  公开（公告）日：2009-03-17
• [EN] T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DE CANAL CALCIQUE DE TYPE T ET LEURS PROCÉDÉS D'UTILISATION
  申请人：PRAXIS PREC MEDICINES INC

  公开号：WO2018118101A1

  公开（公告）日：2018-06-28

  Described herein are compounds useful for preventing and/or treating a disease or condition relating to aberrant function of a T-type calcium channel, such as epilepsy and epilepsy syndromes (e.g., absence seizures, juvenile myoclonic epilepsy, or a genetic epilepsy) and mood disorders. The present invention further comprises methods for modulating the function of a T-type calcium channel.