130143-01-0

• 常用中文名：醋酸西曲瑞克
• 常用英文名：Cetrorelix diacetate
• CAS号：130143-01-0
• 分子式：C₇₀H₉₂ClN₁₇O₁₄
• 分子量：1431.038
• 相关类别： 信号通路 G 蛋白偶联受体/G 蛋白 GNRH受体
• 发布时间：2018-08-01 12:14:24
• 更新时间：2024-01-11 16:27:30
• Cetrorelix diacetate (SB-075 diacetate)是 GnRH 受体的强效拮抗剂,其 IC50 值为 1.21 nM。

名称

• 中文名: 醋酸西曲瑞克
• 英文名: Cetrorelix acetate
• 英文别名: N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N-carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide; N-Carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-N-[(2S)-3-(4-acetoxyphenyl)-2-{[3-(3-pyridinyl)-D-alanyl-O-acetyl-L-seryl]amino}propanoyl]-N-[N-acetyl-3-(2-naphthyl)-D-alanyl]-N-[(2R)-2-amino ; -3-(4-chlorophenyl)propanoyl]-D-alaninamide; Cetrorenlin Acetate; D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-; (2S)-N-[(2R)-1-Amino-1-oxopropan-2-yl]-1-[(2S,5S,8R,11S,14S,17R,20R,23R)-2-(3-carbamimidamidopropyl)-8-[3-(carbamoylamino)propyl]-20-(4-chlorobenzyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-5-isobutyl-23-(2-naphthylmethyl)-4,7,10,13,16,19,22,25-octaoxo-17-(pyridin-3-ylmethyl)-3,6,9,12,15,18,21,24-octaazahexacosan-1-oyl]pyrrolidine-2-carboxamide (non-preferred name); N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide; N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-L-tyrosyl-N-carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide; Cetrorelix; D-Alaninamide, N-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-N-[N-acetyl-3-(2-naphthalenyl)-D-alanyl]-N-[(2S)-2-[[(2S)-3-(acetyloxy)-2-[[(2R)-2-amino-1-oxo-3-(3-pyridinyl)propyl]amino ]-1-oxopropyl]amino]-3-[4-(acetyloxy)phenyl]-1-oxopropyl]-N-[(2R)-2-amino-3-(4-chlorophenyl)-1-oxopropyl]-; cetrorelixum [INN_la]

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 1768.4ºC at 760 mmHg
• 分子式: C₇₀H₉₂ClN₁₇O₁₄
• 分子量: 1431.038
• 闪点: 1023.3ºC
• 精确质量: 1429.669800
• PSA: 518.21000
• LogP: 2.69
• 蒸汽压: 0mmHg at 25°C
• 折射率: 1.668
• 储存条件: 2-8°C，保存于惰性气体中

生物活性

• 描述: Cetrorelix diacetate (SB-075 diacetate)是 GnRH 受体的强效拮抗剂,其 IC50 值为 1.21 nM。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> GNRH受体
  研究领域 >> 癌症
• 靶点:

  IC50: 1.21 nM GnRH[1].

• 体外研究: 西曲瑞利在1000 ng/ml时抑制ES-2细胞系的生长。西曲瑞利与GnRH-I激动剂具有相似的抗增殖作用,表明GnRH-I激动剂和拮抗剂的二分法可能不适用于癌细胞中的GnRH-I系统[2]。
• 参考文献:

  [1]. Beckers T et al. Characterization of gonadotropin-releasing hormone analogs based on a sensitive cellular luciferase reporter gene assay. Anal Biochem. 1997 Aug 15;251(1):17-23.

  [2]. Gründker C et al. Role of gonadotropin-releasing hormone (GnRH) in ovarian cancer. Reprod Biol Endocrinol. 2003 Oct 7;1:65.