N-[2-[(R)-(3-氯苯基)[(3R)-1-[[[(2S)-2-(甲基氨基)-3-[(3R)-四氢-2H-吡喃-3-基]丙基]氨基]羰基]-3-哌啶基]甲氧基]乙基]氨基甲酸甲酯

• 常用名: N-[2-[(R)-(3-氯苯基)[(3R)-1-[[[(2S)-2-(甲基氨基)-3-[(3R)-四氢-2H-吡喃-3-基]丙基]氨基]羰基]-3-哌啶基]甲氧基]乙基]氨基甲酸甲酯
• 英文名: VTP-27999
• CAS号: 942142-51-0
• 分子量: 525.08100
• 密度: 1.178g/cm3
• 沸点: 703.1ºC at 760 mmHg
• 分子式: C₂₆H₄₁ClN₄O₅
• 熔点: N/A
• 闪点: 379ºC

用途

VTP-27999是烷基胺肾素抑制剂。

名称

• 中文名: N-[2-[(R)-(3-氯苯基)[(3R)-1-[[[(2S)-2-(甲基氨基)-3-[(3R)-四氢-2H-吡喃-3-基]丙基]氨基]羰基]-3-哌啶基]甲氧基]乙基]氨基甲酸甲酯
• 英文名: methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-1-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate
• 中文别名: N-[2-[(R)-(3-氯苯基)[(3R)-1-[[[(2S)-2-(甲氨基)-3-[(3R)-四氢-2H-吡喃-3-基]丙基]氨基]羰基]-3-哌啶基]甲氧基]乙基]-氨基甲酸甲酯

生物活性

• 描述: VTP-27999是烷基胺肾素抑制剂。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 肾素
  研究领域 >> 心血管疾病
• 参考文献:

  [1]. Lanqi Jia et al. Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility ACS Med. Chem. Lett., 2011, 2 (10), pp 747-751

  [2]. New renin inhibitor VTP-27999 alters renin immunoreactivity and does not unfold prorenin. Hypertension. 2013 May;61(5):1075-1082.

物理化学性质

• 密度: 1.178g/cm3
• 沸点: 703.1ºC at 760 mmHg
• 分子式: C₂₆H₄₁ClN₄O₅
• 分子量: 525.08100
• 闪点: 379ºC
• 精确质量: 524.27700
• PSA: 101.16000
• LogP: 4.69060
• InChIKey: NXWASIVXQMMPLM-ZXMXYHOLSA-N
• SMILES: CNC(CNC(=O)N1CCCC(C(OCCNC(=O)OC)c2cccc(Cl)c2)C1)CC1CCCOC1
• 折射率: 1.537
• 储存条件: 2-8℃

靶点实验

查看更多实验

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (... 来源：NCGC External Id：IP6K1-p1

实验名称：Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu... 来源：NCGC External Id：CYP3A4437

实验名称：Fraction unbound in cynomolgus monkey plasma 来源：ChEMBL 靶标：Plasma External Id：CHEMBL2027649

实验名称：Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu... 来源：NCGC External Id：CYP2D6395

实验名称：Inhibition of renin (unknown origin) 来源：ChEMBL 靶标：Renin External Id：CHEMBL3406559

实验名称：Inhibition of CYP3A4 using testosterone as substrate in human liver microsome for 20 ... 来源：ChEMBL 靶标：Cytochrome P450 3A4 External Id：CHEMBL2027647

实验名称：Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu... 来源：NCGC External Id：CYP2C9536

实验名称：Fraction unbound in dog plasma 来源：ChEMBL 靶标：Plasma External Id：CHEMBL2027648

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：Cytochrome P450 family 3 subfamily A member 7 (CYP3A7) small molecule antagonists: lu... 来源：NCGC External Id：CYP3A7681

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英文别名

• Methyl (2-{(R)-(3-Chlorophenyl)[(3r)-1-({(2s)-2-(Methylamino)-3-[(3r)-Tetrahydro-2h-Pyran-3-Yl]propyl}carbamoyl)piperidin-3-Yl]methoxy}ethyl)carbamate
• Methyl (2-((R)-(3-chlorophenyl)((R)-1-(((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propyl)carbamoyl)piperidin-3-yl)methoxy)ethyl)carbamate
• QC-4593
• VTP-27999