N-{N-[(2S,3S)-3-trans-Carboxyoxirane-2-carbonyl]-L-phenylalanyl}-1,8-diaminooctane | 169499-49-4

• 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-{N-[(2S,3S)-3-trans-Carboxyoxirane-2-carbonyl]-L-phenylalanyl}-1,8-diaminooctane
• 英文别名: (2S,3S)-3-[[(2S)-1-(8-aminooctylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
• CAS: 169499-49-4
• 化学式: C₂₁H₃₁N₃O₅
• 分子量: 405.494
• InChiKey: OXXOYRYEDDATGH-BZSNNMDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  29
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• Epoxysuccinic acid derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0655447A1

  公开（公告）日：1995-05-31

  A compound of the general formula: wherein R¹ represents a carboxyl group which may optionally be esterified or amidated; R² represents a cyclic group which may optionally be substituted or a polar group; n is an integer of 0 to 6; R³ represents hydrogen or a hydrocarbon residue which may optionally be substituted; R⁴ represents (1) a hydrocarbon residue which is substituted by an optionally protected amino group or (2) an alkenyl group; or R³ and R⁴ may be combined with the adjacent nitrogen atom to form a heterocyclic group containing at least two hetero atoms, or a salt thereof. The compound or a salt thereof of the present invention inhibits thiol proteases such as cathepsin L and B and serves well as a prophylactic/therapeutic agent for bone diseases such as osteoporosis.

  通式如下的化合物 其中 R¹ 代表可选择酯化或酰胺化的羧基；R² 代表可选择被取代的环状基团或极性基团；n 为 0 至 6 的整数；R³ 代表氢或可选择被取代的烃残基；R⁴代表(1)被任选保护的氨基取代的烃残基或(2)烯基；或 R³ 和 R⁴ 可与相邻的氮原子结合形成至少含有两个杂原子的杂环基团或其盐。 本发明的化合物或其盐可抑制硫醇蛋白酶，如 cathepsin L 和 B，可作为骨质疏松症等骨病的预防/治疗药物。
• EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME
  申请人：TAIHO PHARMACEUTICAL CO., LTD.

  公开号：EP0808839A1

  公开（公告）日：1997-11-26

  The invention relates an epoxysuccinamide derivative represented by the general formula (1) wherein R1 and R2 are the same or different from each other and independently represent H or an aromatic hydrocarbon group or aralkyl group which may be substituted, or R1 and R2 may form a nitrogen-containing heterocyclic ring together with the adjacent nitrogen atoms, R3 is H or an acyl group, R4 is H or an aralkyl group, and R5 is an aromatic hydrocarbon group or aralkyl group which may be substituted, or R5 may form an amino acid residue, which may be protected, together with the adjacent nitrogen atom, or a salt thereof, and a medicine comprising the derivative as an active ingredient. This compound has an inhibiting activity against cathepsin, and particularly, specifically inhibits cathepsin L and is hence useful for prevention and treatment of osteopathy such as osteoporosis.

  本发明涉及一种由通式（1）表示的环氧琥珀酰胺衍生物 其中 R1 和 R2 彼此相同或不同，并独立地代表 H 或可被取代的芳香烃基或芳基，或 R1 和 R2 可与相邻的氮原子一起形成含氮杂环，R3 为 H 或酰基，R4 为 H 或芳基，R5 为可被取代的芳香烃基或芳基，或 R5 可与相邻的氮原子一起形成可被保护的氨基酸残基，或其盐，以及包含该衍生物作为活性成分的药物。 该化合物具有抑制酪蛋白酶的活性，特别是对酪蛋白酶 L 有特异性抑制作用，因此可用于预防和治疗骨质疏松症等骨病。
• EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF
  申请人：TAIHO PHARMACEUTICAL COMPANY, LIMITED

  公开号：EP0921122B1

  公开（公告）日：2003-05-21
• US5883121A
  申请人：——

  公开号：US5883121A

  公开（公告）日：1999-03-16
• US6110967A
  申请人：——

  公开号：US6110967A

  公开（公告）日：2000-08-29