Ibrexafungerp  (BioDeep_00000229485)

   

human metabolite


代谢物信息卡片


(1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-[5-(pyridin-4-yl)-1H-1,2,4-triazol-1-yl]-17-oxapentacyclo[13.3.3.0^{1,14}.0^{2,11}.0^{5,10}]henicos-2-ene-6-carboxylic acid

化学式: C44H67N5O4 (729.5192781999999)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(C)C(C)C1(CCC2(C3CCC4C5(COCC4(C3=CCC2(C1C(=O)O)C)CC(C5OCC(C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C
InChI: InChI=1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+/m1/s1

描述信息

J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
C254 - Anti-Infective Agent > C514 - Antifungal Agent

同义名列表

4 个代谢物同义名

(1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-[5-(pyridin-4-yl)-1H-1,2,4-triazol-1-yl]-17-oxapentacyclo[13.3.3.0^{1,14}.0^{2,11}.0^{5,10}]henicos-2-ene-6-carboxylic acid; (1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-[5-(pyridin-4-yl)-1,2,4-triazol-1-yl]-17-oxapentacyclo[13.3.3.0^{1,14}.0^{2,11}.0^{5,10}]henicos-2-ene-6-carboxylic acid; (1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-Amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-[5-(pyridin-4-yl)-1H-1,2,4-triazol-1-yl]-17-oxapentacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]henicos-2-ene-6-carboxylate; Ibrexafungerp



数据库引用编号

6 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

  • Xinlin Hu, Ping Yang, Changdong Chai, Jia Liu, Huanhuan Sun, Yanan Wu, Mingjie Zhang, Min Zhang, Xiaotian Liu, Hongjun Yu. Structural and mechanistic insights into fungal β-1,3-glucan synthase FKS1. Nature. 2023 04; 616(7955):190-198. doi: 10.1038/s41586-023-05856-5. [PMID: 36949198]
  • Nathan P Wiederhold, Laura K Najvar, Marcos Olivo, Kelsey N Morris, Hoja P Patterson, Gabriel Catano, Thomas F Patterson. Ibrexafungerp Demonstrates In Vitro Activity against Fluconazole-Resistant Candida auris and In Vivo Efficacy with Delayed Initiation of Therapy in an Experimental Model of Invasive Candidiasis. Antimicrobial agents and chemotherapy. 2021 05; 65(6):. doi: 10.1128/aac.02694-20. [PMID: 33753333]
  • James M Apgar, Robert R Wilkening, Dann L Parker, Dongfang Meng, Kenneth J Wildonger, Donald Sperbeck, Mark L Greenlee, James M Balkovec, Amy M Flattery, George K Abruzzo, Andrew M Galgoci, Robert A Giacobbe, Charles J Gill, Ming-Jo Hsu, Paul Liberator, Andrew S Misura, Mary Motyl, Jennifer Nielsen Kahn, Maryann Powles, Fred Racine, Jasminka Dragovic, Weiming Fan, Robin Kirwan, Shu Lee, Hao Liu, Ahmed Mamai, Kingsley Nelson, Michael Peel. Ibrexafungerp: An orally active β-1,3-glucan synthesis inhibitor. Bioorganic & medicinal chemistry letters. 2021 01; 32(?):127661. doi: 10.1016/j.bmcl.2020.127661. [PMID: 33160023]
  • Vidmantas Petraitis, Ruta Petraitiene, Aspasia Katragkou, Bo Bo Win Maung, Ethan Naing, Povilas Kavaliauskas, Stephen Barat, Katyna Borroto-Esoda, Nkechi Azie, David Angulo, Thomas J Walsh. Combination Therapy with Ibrexafungerp (Formerly SCY-078), a First-in-Class Triterpenoid Inhibitor of (1→3)-β-d-Glucan Synthesis, and Isavuconazole for Treatment of Experimental Invasive Pulmonary Aspergillosis. Antimicrobial agents and chemotherapy. 2020 05; 64(6):. doi: 10.1128/aac.02429-19. [PMID: 32179521]
  • Maiken Cavling Arendrup, Karin Meinike Jørgensen, Rasmus Krøger Hare, Anuradha Chowdhary. In Vitro Activity of Ibrexafungerp (SCY-078) against Candida auris Isolates as Determined by EUCAST Methodology and Comparison with Activity against C. albicans and C. glabrata and with the Activities of Six Comparator Agents. Antimicrobial agents and chemotherapy. 2020 02; 64(3):. doi: 10.1128/aac.02136-19. [PMID: 31844005]
  • Andrej Spec, John Pullman, George R Thompson, William G Powderly, Ellis H Tobin, Jose Vazquez, Stephen A Wring, David Angulo, Silvia Helou, Peter G Pappas. MSG-10: a Phase 2 study of oral ibrexafungerp (SCY-078) following initial echinocandin therapy in non-neutropenic patients with invasive candidiasis. The Journal of antimicrobial chemotherapy. 2019 10; 74(10):3056-3062. doi: 10.1093/jac/dkz277. [PMID: 31304536]
  • Stephen Wring, Katyna Borroto-Esoda, Eric Solon, David Angulo. SCY-078, a Novel Fungicidal Agent, Demonstrates Distribution to Tissues Associated with Fungal Infections during Mass Balance Studies with Intravenous and Oral [14C]SCY-078 in Albino and Pigmented Rats. Antimicrobial agents and chemotherapy. 2019 02; 63(2):. doi: 10.1128/aac.02119-18. [PMID: 30478166]
  • Stephen Wring, Gail Murphy, George Atiee, Christy Corr, Michele Hyman, Michael Willett, David Angulo. Clinical Pharmacokinetics and Drug-Drug Interaction Potential for Coadministered SCY-078, an Oral Fungicidal Glucan Synthase Inhibitor, and Tacrolimus. Clinical pharmacology in drug development. 2019 01; 8(1):60-69. doi: 10.1002/cpdd.588. [PMID: 29947477]
  • Nathan P Wiederhold, Laura K Najvar, Rosie Jaramillo, Marcos Olivo, Jason Pizzini, Gabriel Catano, Thomas F Patterson. Oral glucan synthase inhibitor SCY-078 is effective in an experimental murine model of invasive candidiasis caused by WT and echinocandin-resistant Candida glabrata. The Journal of antimicrobial chemotherapy. 2018 02; 73(2):448-451. doi: 10.1093/jac/dkx422. [PMID: 29177447]
  • Alexander J Lepak, Karen Marchillo, David R Andes. Pharmacodynamic target evaluation of a novel oral glucan synthase inhibitor, SCY-078 (MK-3118), using an in vivo murine invasive candidiasis model. Antimicrobial agents and chemotherapy. 2015 Feb; 59(2):1265-72. doi: 10.1128/aac.04445-14. [PMID: 25512406]