(S)-5-guanidino-2-({3-[3-({2-[(5-methyl-isoxazol-3-ylmethyl)-amino]-thiazol-4-ylmethyl}-amino)-benzenesulfonylamino]-thiophene-2-carbonyl}-amino)-pentanoic acid | 1268618-31-0

• 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: (S)-5-guanidino-2-({3-[3-({2-[(5-methyl-isoxazol-3-ylmethyl)-amino]-thiazol-4-ylmethyl}-amino)-benzenesulfonylamino]-thiophene-2-carbonyl}-amino)-pentanoic acid
• 英文别名: (2S)-5-(diaminomethylideneamino)-2-[[3-[[3-[[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazol-4-yl]methylamino]phenyl]sulfonylamino]thiophene-2-carbonyl]amino]pentanoic acid
• CAS: 1268618-31-0
• 化学式: C₂₆H₃₁N₉O₆S₃
• 分子量: 661.787
• InChiKey: IKKFDRIIIRILRR-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  44
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  305
• 氢给体数：
  7
• 氢受体数：
  14

文献信息

• [EN] NP-1 ANTAGONISTS AND THEIR THERAPEUTIC USE<br/>[FR] ANTAGONISTES DE NP-1 ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：ARK THERAPEUTICS LTD

  公开号：WO2011024001A1

  公开（公告）日：2011-03-03

  Compounds of formula (I): or a pharmaceutically acceptable salt thereof, wherein: W is arylene, heteroarylene or formula (a) each L is independently alkylene, alkenylene, alkynylene, a direct bond, arylene, cycloalkylene, alkylene-arylene, alkylene-C=O or-C=O; each X is independently an N-containing heteroarylene, N-containing cycloalkylene or NR; Y is N-containing heteroaryl, N-containing cycloalkyl, NR2, OR1, CN or CO2R; Z1 is formula (b); are useful in therapy, particularly in the therapy of neurodegeneration and cancer.

  化合物的化学式（I）：或其药学上可接受的盐，其中：W为芳基，杂芳基或化学式（a）中的每个L独立地为烷基，烯烃基，炔烃基，直接键，芳基，环烷基，烷基-芳基，烷基-C=O或-C=O；每个X独立地为含氮杂芳基，含氮环烷基或NR；Y为含氮杂芳基，含氮环烷基，NR2，OR1，CN或CO2R；Z1为化学式（b）；在治疗中很有用，特别是在神经退行性疾病和癌症的治疗中。
• NP-1 Antagonists and Their Therapeutic Use
  申请人：Crawshaw Melanie Jayne

  公开号：US20120201749A1

  公开（公告）日：2012-08-09

  Compounds of formula (I): or a pharmaceutically acceptable salt thereof, wherein: W is arylene, heteroarylene or formula (a) each L is independently alkylene, alkenylene, alkynylene, a direct bond, arylene, cycloalkylene, alkylene-arylene, alkylene-C═O or —C═O; each X is independently an N-containing heteroarylene, N-containing cycloalkylene or NR; Y is N-containing heteroaryl, N-containing cycloalkyl, NR 2 , OR 1 , CN or CO 2 R; Z 1 is formula (b); are useful in therapy, particularly in the therapy of neurodegeneration and cancer.

  式(I)的化合物或其药学上可接受的盐，其中: W为芳基，杂芳基或式(a)；每个L独立地为烷基，烯烃基，炔基，直接键，芳基，环烷基，烷基-芳基，烷基-C═O或-C═O；每个X独立地为含N的杂芳基，含N的环烷基或NR；Y为含N的杂芳基，含N的环烷基，NR2，OR1，CN或CO2R；Z1为式(b)。这些化合物在治疗中有用，特别是在神经退行性和癌症治疗中。