Berotralstat (BioDeep_00000229508)

   

human metabolite


代谢物信息卡片


1-[3-(Aminomethyl)phenyl]-N-{5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboximidate

化学式: C30H26F4N6O (562.2104114)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1CC1CNC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N
InChI: InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1

描述信息

B - Blood and blood forming organs > B06 - Other hematological agents > B06A - Other hematological agents > B06AC - Drugs used in hereditary angioedema
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

同义名列表

6 个代谢物同义名

1-[3-(Aminomethyl)phenyl]-N-{5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboximidate; 1-[3-(aminomethyl)phenyl]-N-{5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; 1-(3-(Aminomethyl)phenyl)-N-(5-((R)-(3-cyanophenyl)((cyclopropylmethyl)amino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; 2-[3-(aminomethyl)phenyl]-N-{5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl}-5-(trifluoromethyl)pyrazole-3-carboxamide; 1H-Pyrazole-5-carboxamide, 1-(3-(aminomethyl)phenyl)-N-(5-((R)-(3-cyanophenyl)((cyclopropylmethyl); Berotralstat



数据库引用编号

5 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Amanda Mathis, Mark Sale, Melanie Cornpropst, William P Sheridan, Shu Chin Ma. Population pharmacokinetic modeling and simulations of berotralstat for prophylactic treatment of attacks of hereditary angioedema. Clinical and translational science. 2022 04; 15(4):1027-1035. doi: 10.1111/cts.13233. [PMID: 35212456]
  • Pravin L Kotian, Minwan Wu, Satish Vadlakonda, Venkat Chintareddy, Pengcheng Lu, Luis Juarez, Debra Kellogg-Yelder, Xilin Chen, Saritha Muppa, Ramanda Chambers-Wilson, Cynthia Davis Parker, Jason Williams, Kevin J Polach, Weihe Zhang, Krishnan Raman, Yarlagadda S Babu. Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE). Journal of medicinal chemistry. 2021 09; 64(17):12453-12468. doi: 10.1021/acs.jmedchem.1c00511. [PMID: 34436898]
  • Michael E Manning, Jay M Kashkin. Berotralstat (BCX7353) is a novel oral prophylactic treatment for hereditary angioedema: Review of phase II and III studies. Allergy and asthma proceedings. 2021 07; 42(4):274-282. doi: 10.2500/aap.2021.42.210034. [PMID: 34127176]
  • Bruce Zuraw, William R Lumry, Douglas T Johnston, Emel Aygören-Pürsün, Aleena Banerji, Jonathan A Bernstein, Sandra C Christiansen, Joshua S Jacobs, Karl V Sitz, Richard G Gower, Remi Gagnon, H James Wedner, Tamar Kinaciyan, Roman Hakl, Jana Hanzlíková, John T Anderson, Donald L McNeil, Stephen B Fritz, William H Yang, Raffi Tachdjian, Paula J Busse, Timothy J Craig, H Henry Li, Henriette Farkas, Jessica M Best, Desiree Clemons, Melanie Cornpropst, Sylvia M Dobo, Heather A Iocca, Deborah Kargl, Eniko Nagy, Sharon C Murray, Phil Collis, William P Sheridan, Marcus Maurer, Marc A Riedl. Oral once-daily berotralstat for the prevention of hereditary angioedema attacks: A randomized, double-blind, placebo-controlled phase 3 trial. The Journal of allergy and clinical immunology. 2021 07; 148(1):164-172.e9. doi: 10.1016/j.jaci.2020.10.015. [PMID: 33098856]
  • Isao Ohsawa, Daisuke Honda, Yusuke Suzuki, Tomoo Fukuda, Keisuke Kohga, Eishin Morita, Shinichi Moriwaki, Osamu Ishikawa, Yoshihiro Sasaki, Masaki Tago, Greg Chittick, Melanie Cornpropst, Sharon C Murray, Sylvia M Dobo, Eniko Nagy, Sharon Van Dyke, Lacy Reese, Jessica M Best, Heather Iocca, Phil Collis, William P Sheridan, Michihiro Hide. Oral berotralstat for the prophylaxis of hereditary angioedema attacks in patients in Japan: A phase 3 randomized trial. Allergy. 2021 06; 76(6):1789-1799. doi: 10.1111/all.14670. [PMID: 33247955]
  • Arnold Lee. Berotralstat: First Approval. Drugs. 2021 Feb; 81(3):405-409. doi: 10.1007/s40265-021-01475-4. [PMID: 33646555]
  • Satoshi Orui, Haruka Nozue, Satoko Kobayashi, Masaki Fujioka, Yuriko Maekawa. [Pharmacological and clinical study results of Berotralstat Hydrochloride for long-term prophylactic treatment of hereditary angioedema]. Nihon yakurigaku zasshi. Folia pharmacologica Japonica. 2021; 156(6):382-390. doi: 10.1254/fpj.21069. [PMID: 34719573]
  • Jacqueline R Hwang, Gloria Hwang, Ansh Johri, Timothy Craig. Oral plasma kallikrein inhibitor BCX7353 for treatment of hereditary angioedema. Immunotherapy. 2019 12; 11(17):1439-1444. doi: 10.2217/imt-2019-0128. [PMID: 31635497]