tert-butyl (2S)-2-benzyloxycarbonylamino-3-(4-(2-methoxycarbonyl-ethyl)-benzoylamino)propionate | 228572-45-0

• 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: tert-butyl (2S)-2-benzyloxycarbonylamino-3-(4-(2-methoxycarbonyl-ethyl)-benzoylamino)propionate
• 英文别名: (1,1-dimethylethyl) N-[(phenylmethoxy)carbonyl]-3-[[4-(3-methoxy-3-oxo-propyl)benzoyl]amino]-L-alaninate；tert-butyl (2S)-2-benzyloxycarbonylamino-3-(4-(2-methoxycarbonylethyl)benzoylamino)propionate；tert-butyl (2S)-3-[[4-(3-methoxy-3-oxopropyl)benzoyl]amino]-2-(phenylmethoxycarbonylamino)propanoate
• CAS: 228572-45-0
• 化学式: C₂₆H₃₂N₂O₇
• 分子量: 484.549
• InChiKey: PBEAPEOHEHNJRZ-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  35
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl (2S)-2-benzyloxycarbonylamino-3-(4-(2-methoxycarbonyl-ethyl)-benzoylamino)propionate 在 palladium on activated charcoal 氢气 、 溶剂黄146 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 (S)-2-Methanesulfonylamino-3-[4-(2-methoxycarbonyl-ethyl)-benzoylamino]-propionic acid tert-butyl ester
  参考文献：
  名称：

  Will; Breipohl; Gourvest, Polish Journal of Chemistry, 2005, vol. 79, # 3, p. 567 - 572

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-4-(3-甲氧基-3-氧代丙-1-烯-1-基)苯甲酸 在 palladium on activated charcoal O-[(ethoxycarbonyl)cyanomethyleneamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 tert-butyl (2S)-2-benzyloxycarbonylamino-3-(4-(2-methoxycarbonyl-ethyl)-benzoylamino)propionate
  参考文献：
  名称：

  Will; Breipohl; Gourvest, Polish Journal of Chemistry, 2005, vol. 79, # 3, p. 567 - 572

  摘要：

  DOI：

文献信息

• Acylguanidine derivatives as inhibitors of bone resorption and as vitronectin receptor antagonists
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US06492356B1

  公开（公告）日：2002-12-10

  The present invention relates to acylguanidine derivatives of formula (I) in which R1, R2, R4, R5, R6, A, m and n have the meanings indicated in the patent claims, their physiologically tolerable salts and their prodrugs. The compounds of formula (I) are valuable pharmaceutical active ingredients. They are vitronectin receptor antagonists and inhibitors of bone resorption by osteoclasts and are suitable, for example, for the therapy or prophylaxis of diseases which are caused at least partially by an undesired extend of bone resorption, for example of osteoporosis. The invention furthermore relates to processes for the preparation of compounds of formula (I), their use, in particular as pharmaceutical active ingredients, and pharmaceutical preparations comprising them.

  本发明涉及式(I)的酰基胍衍生物，其中R1、R2、R4、R5、R6、A、m和n具有专利要求中指示的含义，它们的生理耐受盐和前药。式(I)化合物是有价值的药用活性成分。它们是维脱内钙蛋白受体拮抗剂，能抑制破骨细胞对骨骼的吸收，例如，适用于治疗或预防至少部分由于不良骨吸收引起的疾病，例如骨质疏松症。该发明还涉及制备式(I)化合物的方法，它们的使用，特别是作为药用活性成分，并包含它们的药物制剂。
• Sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion
  申请人：Adventis Pharma Deutschland GmbH

  公开号：US06313119B1

  公开（公告）日：2001-11-06

  Sulfonamide derivatives, their physiologically tolerable salts and their prodrugs according to the present invention are vitronectin receptor antagonists and inhibitors of cell adhesion, as well as inhibit bone resorption by osteoclasts. These derivatives, salts and prodrugs are pharmaceutically active compounds useful in the therapy and prophylaxis of diseases which are caused at least partially by an undesired extent of bone resorption, for example of osteoporosis. Processes for the preparation of the sulfonamide derivatives according to the present invention, the use of these derivatives as pharmaceutically active ingredients, and pharmaceutical preparations comprising these derivatives also are disclosed.

  根据本发明，磺胺衍生物、其生理耐受性盐和其前药是vitronectin受体拮抗剂和细胞粘附抑制剂，同时也通过抑制骨细胞破坏抑制骨吸收。这些衍生物、盐和前药是在治疗和预防部分由于骨吸收不良引起的疾病中有用的药用活性化合物，例如骨质疏松症。根据本发明的磺胺衍生物的制备方法，这些衍生物作为药用活性成分的使用，以及包含这些衍生物的药物制剂也被披露。
• ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR
  申请人：——

  公开号：US20040225111A1

  公开（公告）日：2004-11-11

  The invention concerns vitronectin receptor antagonist compounds of formula (I): R 1 —Y-A-B-D-E-F-G wherein R 1 , Y, A, B, D, E, F, and G are as defined in the description, their physiologically acceptable salts and their prodrugs, methods for preparing compounds of formula (I), their use, in particular as medicine and pharmaceutical compositions containing them.

  该发明涉及公式（I）的维脱内均一受体拮抗剂化合物：R1—Y-A-B-D-E-F-G，其中R1、Y、A、B、D、E、F和G如描述中所定义，它们的生理上可接受的盐及其前药，制备公式（I）化合物的方法，它们的用途，特别是作为药物的用途和含有它们的药物组合物。
• (2S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1197488A1

  公开（公告）日：2002-04-17

  (2S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use The present invention relates to (2S)-2-(adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester of the formula I and its physiologically tolerable salts, their preparation, their use as pharmaceuticals and to pharmaceutical compositions comprising them. The compound of the formula I and its physiologically tolerable salts are valuable pharmacologically active compounds which can be used, for example, in the treatment or prophylaxis of diseases which can be influenced by inhibiting the vitronectin receptor, for example of bone diseases such as osteoporosis.

  本发明涉及公式I的(2S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester及其生理上可耐受的盐，它们的制备，它们作为药物的使用以及包含它们的药物组合物。公式I的化合物及其生理上可耐受的盐是有价值的药理活性化合物，例如，它们可以用于治疗或预防通过抑制胶原连接蛋白受体可以影响的疾病，例如骨疾病，如骨质疏松症。
• Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists
  申请人：Aventis Pharma S.A.

  公开号：US20030050314A1

  公开（公告）日：2003-03-13

  There are described cycloalkyl derivatives of the formula (I) R 1 —Y-A-B-D-E-F-G  (I) in which R 1 , Y, A, B, D, E, F and G have the meaning indicated herein, their preparation and their use as medicaments. The compounds according to the invention can be used as vitronectin receptor antagonists and as inhibitors of bone resorption.

  本文描述了公式（I）的环烷基衍生物：R1-Y-A-B-D-E-F-G（I），其中R1，Y，A，B，D，E，F和G的含义如本文所示，以及它们的制备和作为药物的用途。本发明的化合物可用作Vitronectin受体拮抗剂和骨吸收抑制剂。