艾替班特

• 常用名: 艾替班特
• 英文名: HOE 140 TFA
• CAS号: 130308-48-4
• 分子量: 1304.522
• 密度: 1.6±0.1 g/cm3
• 沸点: N/A
• 分子式: C₅₉H₈₉N₁₉O₁₃S
• 熔点: N/A
• 闪点: N/A

艾替班特用途

Icatibant(HOE-140)是缓激肽B2受体的高效特异性拮抗剂,IC50和Ki值分别为1.07nM和0.798nM。

艾替班特名称

• 中文名: 艾替班特
• 英文名: icatibant

艾替班特生物活性

• 描述: Icatibant(HOE-140)是缓激肽B2受体的高效特异性拮抗剂,IC50和Ki值分别为1.07nM和0.798nM。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 缓激肽受体
  研究领域 >> 其他
• 参考文献:

  [1]. Hock FJ, et al. Hoe 140 a new potent and long acting bradykinin-antagonist: in vitro studies. Br J Pharmacol. 1991 Mar;102(3):769-73.

  [2]. George J, et al. Locally Mediated Analgesic Effect of Bradykinin Type 2 Receptor Antagonist HOE 140 During Acute Inflammatory Pain in Rats. J Burn Care Res. 2014 Jan 21.

  [3]. Ferreira AP, et al. HOE-140, an antagonist of B2 receptor, protects against memory deficits and brain damage induced by moderate lateral fluid percussion injury in mice. Psychopharmacology (Berl). 2014 May;231(9):1935-48.

艾替班特物理化学性质

• 密度: 1.6±0.1 g/cm3
• 分子式: C₅₉H₈₉N₁₉O₁₃S
• 分子量: 1304.522
• 精确质量: 1303.660767
• PSA: 544.46000
• LogP: -2.63
• InChIKey: QURWXBZNHXJZBE-OVZQYVDUSA-N
• SMILES: NC(N)=NCCCC(N)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)NC(CO)C(=O)N1Cc2ccccc2CC1C(=O)N1C(C(=O)NC(CCCN=C(N)N)C(=O)O)CC2CCCCC21
• 外观性状: 白色固体
• 折射率: 1.742
• 储存条件: −20°C

艾替班特安全信息

• WGK德国: 3

艾替班特靶点实验

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实验名称：In vitro inhibitory activity towards bradykinin receptor B2 using [3H]BK (0.06 nM) as... 来源：ChEMBL 靶标：B2 bradykinin receptor External Id：CHEMBL656507

实验名称：Compound was evaluated for percentage inhibition against BK-induced bronchoconstricti... 来源：ChEMBL 靶标：Cavia porcellus External Id：CHEMBL687458

实验名称：Inhibition of bradykinin-induced Hartley guinea pig ileum contraction at 1 uM relativ... 来源：ChEMBL 靶标：Ileum External Id：CHEMBL1070167

实验名称：Compound tested in vivo for inhibition of Bradykinin induced Bronchoconstriction in a... 来源：ChEMBL 靶标：Cavia porcellus External Id：CHEMBL686604

实验名称：Binding affinity towards Bradykinin receptor B2 in human S34 clone cells 来源：ChEMBL 靶标：B2 bradykinin receptor External Id：CHEMBL857781

实验名称：Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry 来源：NCGC 靶标：N/A External Id：TRND-SARS-CoV-2-cytotox-48hr

实验名称：Compound tested in vivo for inhibition of Bradykinin induced Bronchoconstriction in a... 来源：ChEMBL 靶标：Cavia porcellus External Id：CHEMBL686610

实验名称：SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f... 来源：ChEMBL 靶标：Replicase polyprotein 1ab External Id：CHEMBL4495582

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：Percent recovery was evaluated in rat 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL792197

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艾替班特英文别名

• D-Arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2a,3ab,7ab)-octahydro-1H-indole-2-carbonyl-L-arginine
• (2S)-2-({[(3aS,7aS)-1-({(3R)-2-[(2S)-2-{[(2S)-2-{[({[(2S,4R)-1-({(2S)-1-[(2S)-2-{[(2R)-2-Amino-5-carbamimidamidopentanoyl]amino}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl}carbonyl)-4-hydroxypyrrolidin-2-yl]carbonyl}amino)acetyl]amino}-3-(2-thienyl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}carbonyl)octahydro-1H-indol-2-yl]carbonyl}amino)-5-carbamimidamidopentanoic acid (non-preferred name)
• H0E-140
• HOE I40
• (2S)-2-({[(3aS,7aS)-1-({(3R)-2-[(2S)-2-{[(2S)-2-{[({[(2S,4R)-1-({(2S)-1-[(2S)-2-{[(2R)-2-Amino-5-carbamimidamidopentanoyl]amino}-5-carbamimidamidopentanoyl]-2-pyrrolidinyl}carbonyl)-4-hydroxy-2-pyrrolidinyl]carbonyl}amino)acetyl]amino}-3-(2-thienyl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tetrahydro-3-isoquinolinyl}carbonyl)octahydro-1H-indol-2-yl]carbonyl}amino)-5-carbamimidamidopentanoic acid
• Icatibant