醋酸西曲瑞克

• 常用名: 醋酸西曲瑞克
• 英文名: Cetrorelix diacetate
• CAS号: 130143-01-0
• 分子量: 1431.038
• 密度: 1.4±0.1 g/cm3
• 沸点: 1768.4ºC at 760 mmHg
• 分子式: C₇₀H₉₂ClN₁₇O₁₄
• 熔点: N/A
• 闪点: 1023.3ºC

醋酸西曲瑞克用途

Cetrorelix diacetate (SB-075 diacetate)是 GnRH 受体的强效拮抗剂,其 IC50 值为 1.21 nM。

醋酸西曲瑞克名称

• 中文名: 醋酸西曲瑞克
• 英文名: Cetrorelix acetate

醋酸西曲瑞克生物活性

• 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
• 靶点实验:

  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.

醋酸西曲瑞克物理化学性质

• 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
• InChIKey: DTPVYWHLQLAXFT-SMCUOGPFSA-N
• SMILES: CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(N)=O.CC(=O)O.CC(=O)O
• 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

醋酸西曲瑞克靶点实验

查看更多实验

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实验名称：Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled h... 来源：ChEMBL 靶标：Gonadotropin-releasing hormone receptor External Id：CHEMBL4676203

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实验名称：Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry 来源：NCGC External Id：TRND-SARS-CoV-2-PP

实验名称：Suppression of ovariectomized-induced increase in plasma luteinizing hormone level in... 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL4676195

实验名称：Agonist activity at N-terminal Flag-tagged human MRGPRX2 receptor expressed in tetrac... 来源：ChEMBL 靶标：Mas-related G-protein coupled receptor member X2 External Id：CHEMBL5665199

实验名称：Binding affinity towards human DRD1 in an in vitro assay (CRO assay) measured by scin... 来源：ChEMBL 靶标：D(1A) dopamine receptor External Id：CHEMBL5291780

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醋酸西曲瑞克英文别名

• 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
• (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
• cetrorelixum [INN_la]