Tomudex (BioDeep_00001871344)

Main id: BioDeep_00000003172

 


代谢物信息卡片


Raltitrexed

化学式: C21H22N4O6S (458.126)
中文名称: 雷替曲塞
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1
InChI: InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1

描述信息

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite
C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor
D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists
D009676 - Noxae > D000963 - Antimetabolites
D000970 - Antineoplastic Agents
Same as: D01064

同义名列表

5 个代谢物同义名

Raltitrexed; ICI D1694; Tomudex; ZD1694; ICI D1694



数据库引用编号

11 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)

0 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。

亚细胞结构定位 关联基因列表
Cytoplasm 11 BCL2, CASP3, CDK2, CDKN1A, DHFR, DPYD, EGFR, TNK1, TP53, TYMS, VEGFA
Peripheral membrane protein 1 TNK1
Endosome membrane 1 EGFR
Endoplasmic reticulum membrane 3 BCL2, EGFR, FOLR1
Mitochondrion membrane 1 ABCG2
Nucleus 11 BCL2, CASP3, CDK2, CDKN1A, DLST, EGFR, FOLR1, TP53, TYMS, UNG, VEGFA
cytosol 12 BCL2, CASP3, CDK2, CDKN1A, DHFR, DLST, DPYD, GART, GPT, TP53, TYMP, TYMS
mitochondrial membrane 1 ABCG2
nuclear body 1 CDKN1A
centrosome 2 CDK2, TP53
nucleoplasm 7 ABCG2, CASP3, CDK2, CDKN1A, DLST, TP53, UNG
Cell membrane 3 ABCG2, EGFR, FOLR1
ruffle membrane 1 EGFR
Early endosome membrane 1 EGFR
Multi-pass membrane protein 1 ABCG2
cell junction 1 EGFR
cell surface 3 EGFR, FOLR1, VEGFA
glutamatergic synapse 2 CASP3, EGFR
Golgi apparatus 1 VEGFA
Golgi membrane 2 EGFR, FOLR1
mitochondrial inner membrane 1 TYMS
neuronal cell body 1 CASP3
endosome 3 CDK2, EGFR, FOLR1
plasma membrane 4 ABCG2, EGFR, FOLR1, TNK1
Membrane 8 ABCG2, BCL2, DLST, EGFR, FOLR1, TNK1, TP53, VEGFA
apical plasma membrane 3 ABCG2, EGFR, FOLR1
basolateral plasma membrane 2 EGFR, FOLR1
extracellular exosome 3 FOLR1, GART, GPT
endoplasmic reticulum 3 BCL2, TP53, VEGFA
extracellular space 2 EGFR, VEGFA
perinuclear region of cytoplasm 2 CDKN1A, EGFR
adherens junction 1 VEGFA
mitochondrion 6 BCL2, DHFR, DLST, TP53, TYMS, UNG
protein-containing complex 4 BCL2, CDKN1A, EGFR, TP53
postsynaptic density 1 CASP3
Single-pass type I membrane protein 1 EGFR
Secreted 2 FOLR1, VEGFA
extracellular region 1 VEGFA
Mitochondrion outer membrane 1 BCL2
Single-pass membrane protein 1 BCL2
mitochondrial outer membrane 1 BCL2
Mitochondrion matrix 3 DLST, TP53, TYMS
mitochondrial matrix 3 DLST, TP53, TYMS
transcription regulator complex 2 CDK2, TP53
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome 2 CDK2, TP53
Nucleus membrane 1 BCL2
Bcl-2 family protein complex 1 BCL2
nuclear membrane 2 BCL2, EGFR
external side of plasma membrane 1 FOLR1
Secreted, extracellular space, extracellular matrix 1 VEGFA
cytoplasmic vesicle 1 FOLR1
nucleolus 2 CDKN1A, TP53
Apical cell membrane 2 ABCG2, FOLR1
Mitochondrion inner membrane 1 TYMS
Membrane raft 2 ABCG2, EGFR
pore complex 1 BCL2
Cytoplasm, cytoskeleton 1 TP53
focal adhesion 1 EGFR
extracellular matrix 1 VEGFA
intracellular vesicle 1 EGFR
Nucleus, PML body 1 TP53
PML body 1 TP53
secretory granule 1 VEGFA
receptor complex 1 EGFR
chromatin 1 TP53
brush border membrane 2 ABCG2, FOLR1
chromosome, telomeric region 1 CDK2
Basolateral cell membrane 1 FOLR1
Lipid-anchor, GPI-anchor 1 FOLR1
site of double-strand break 1 TP53
nuclear envelope 1 CDK2
germ cell nucleus 1 TP53
replication fork 1 TP53
myelin sheath 1 BCL2
basal plasma membrane 1 EGFR
clathrin-coated vesicle 1 FOLR1
synaptic membrane 1 EGFR
nuclear matrix 1 TP53
transcription repressor complex 1 TP53
male germ cell nucleus 1 CDK2
platelet alpha granule lumen 1 VEGFA
Cytoplasmic vesicle, clathrin-coated vesicle 1 FOLR1
transport vesicle 1 FOLR1
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 FOLR1
ER to Golgi transport vesicle membrane 1 FOLR1
oxoglutarate dehydrogenase complex 1 DLST
clathrin-coated endocytic vesicle membrane 1 EGFR
Cajal body 1 CDK2
[Isoform 1]: Nucleus 1 TP53
external side of apical plasma membrane 1 ABCG2
death-inducing signaling complex 1 CASP3
condensed chromosome 1 CDK2
Nucleus, Cajal body 1 CDK2
X chromosome 1 CDK2
Y chromosome 1 CDK2
cyclin-dependent protein kinase holoenzyme complex 2 CDK2, CDKN1A
cyclin E1-CDK2 complex 1 CDK2
cyclin E2-CDK2 complex 1 CDK2
oxidoreductase complex 1 DLST
multivesicular body, internal vesicle lumen 1 EGFR
Shc-EGFR complex 1 EGFR
oxoadipate dehydrogenase complex 1 DLST
BAD-BCL-2 complex 1 BCL2
PCNA-p21 complex 1 CDKN1A
Lipid-anchor, GPI-like-anchor 1 FOLR1
[N-VEGF]: Cytoplasm 1 VEGFA
[VEGFA]: Secreted 1 VEGFA
[Isoform L-VEGF189]: Endoplasmic reticulum 1 VEGFA
[Isoform VEGF121]: Secreted 1 VEGFA
[Isoform VEGF165]: Secreted 1 VEGFA
VEGF-A complex 1 VEGFA
cyclin A2-CDK2 complex 1 CDK2
cyclin A1-CDK2 complex 1 CDK2


文献列表

  • Fouzia Gul, Nousheen Parvaiz, Syed Sikander Azam. Deciphering the relational dynamics of AF-2 domain of PAN PPAR through drug repurposing and comparative simulations. PloS one. 2023; 18(3):e0283743. doi: 10.1371/journal.pone.0283743. [PMID: 37000796]
  • Shuxuan Wang, Yao Chen, Houshun Fang, Yan Xu, Ming Ding, Chunshuang Ma, Yanyan Lin, Zhiyan Cui, Huiying Sun, Qun Niu, Shuzhang Sun, Bin-Bing S Zhou, Ning Xiao, Hui Li. A γ-glutamyl hydrolase lacking the signal peptide confers susceptibility to folates/antifolates in acute lymphoblastic leukemia cells. FEBS letters. 2022 02; 596(4):437-448. doi: 10.1002/1873-3468.14285. [PMID: 35040120]
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  • Kayoko Kanamitsu, Hiroyuki Kusuhara, John D Schuetz, Kenji Takeuchi, Yuichi Sugiyama. Investigation of the Importance of Multidrug Resistance-Associated Protein 4 (Mrp4/Abcc4) in the Active Efflux of Anionic Drugs Across the Blood-Brain Barrier. Journal of pharmaceutical sciences. 2017 09; 106(9):2566-2575. doi: 10.1016/j.xphs.2017.04.040. [PMID: 28456721]
  • Stefano Kim, Amaëlle Bisch, Damien Montange, Marie-Justine Paillard, Thierry Nguyen, Marine Jary, Marion Jacquin, Betsy Winkfield, Christophe Borg, Bernard Royer. A simple and fast LC-MS/MS method with a very high sensitivity for the measurement of raltitrexed in human plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2017 Aug; 1060(?):240-246. doi: 10.1016/j.jchromb.2017.06.021. [PMID: 28628839]
  • Rong Xing, Biao Qu, Jia-Wei Song, Kai Zhou, Qiao Liao. [Pharmacokinetics behavior of raltitrexed in rats after repeatedly injected with Huangqi injection]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2014 Jun; 39(11):2140-3. doi: NULL. [PMID: 25272859]
  • Daniel Martinez Molina, Rozbeh Jafari, Marina Ignatushchenko, Takahiro Seki, E Andreas Larsson, Chen Dan, Lekshmy Sreekumar, Yihai Cao, Pär Nordlund. Monitoring drug target engagement in cells and tissues using the cellular thermal shift assay. Science (New York, N.Y.). 2013 Jul; 341(6141):84-7. doi: 10.1126/science.1233606. [PMID: 23828940]
  • Rong Xing, Kai Zhou, Jia-Wei Song. [Pharmacokinetics behavior of raltitrexed in rats after single injected with astragali radix]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2013 Jun; 38(11):1823-6. doi: NULL. [PMID: 24010304]
  • Jie Shen, Hao Wang, Jia Wei, Lixia Yu, Li Xie, Xiaoping Qian, Zhengyun Zou, Baorui Liu, Wenxian Guan. Thymidylate synthase mRNA levels in plasma and tumor as potential predictive biomarkers for raltitrexed sensitivity in gastric cancer. International journal of cancer. 2012 Sep; 131(6):E938-45. doi: 10.1002/ijc.27530. [PMID: 22422354]
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  • Roberto Díaz, Jorge Aparicio, Regina Gironés, Jorge Molina, Laura Palomar, Angel Segura, Joaquin Montalar. Analysis of prognostic factors and applicability of Kohne's prognostic groups in patients with metastatic colorectal cancer treated with first-line irinotecan or oxaliplatin-based chemotherapy. Clinical colorectal cancer. 2005 Sep; 5(3):197-202. doi: 10.3816/ccc.2005.n.031. [PMID: 16197623]
  • Terzah M Horton, Susan M Blaney, Anne-Marie Langevin, John Kuhn, Barton Kamen, Stacey L Berg, Mark Bernstein, Steven Weitman. Phase I trial and pharmacokinetic study of raltitrexed in children with recurrent or refractory leukemia: a pediatric oncology group study. Clinical cancer research : an official journal of the American Association for Cancer Research. 2005 Mar; 11(5):1884-9. doi: 10.1158/1078-0432.ccr-04-1676. [PMID: 15756014]
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  • Joëlle Egreteau, Eveline Boucher, Sophie de Guibert, Christian Jacquelinet, Bernard Meunier, Karim Boudjema, Jean-Luc Raoul. New drugs for colorectal cancer (irinotecan, oxaliplatin, raltitrexed) meet expectations in routine practice: a single center's experience before and after their introduction. International journal of gastrointestinal cancer. 2005; 35(1):69-76. doi: 10.1385/ijgc:35:1:069. [PMID: 15722576]
  • Elaine Y L Blair, Laurent P Rivory, Stephen J Clarke, Andrew J McLachlan. Population pharmacokinetics of raltitrexed in patients with advanced solid tumours. British journal of clinical pharmacology. 2004 Apr; 57(4):416-26. doi: 10.1111/j.1365-2125.2003.02050.x. [PMID: 15025739]
  • Gianluca Masi, Alfredo Falcone, Antonello Di Paolo, Giacomo Allegrini, Romano Danesi, Cecilia Barbara, Samanta Cupini, Mario Del Tacca. A phase I and pharmacokinetic study of irinotecan given as a 7-day continuous infusion in metastatic colorectal cancer patients pretreated with 5-fluorouracil or raltitrexed. Clinical cancer research : an official journal of the American Association for Cancer Research. 2004 Mar; 10(5):1657-63. doi: 10.1158/1078-0432.ccr-1585-3. [PMID: 15014016]
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  • Diem Nguyen, Claude Emond, Yves Leclerc, Igor Sherman, Pierre Dube. Pharmacokinetics studies and toxicity profile of raltitrexed used by intraperitoneal route in normothermia in a pig model. Medical science monitor : international medical journal of experimental and clinical research. 2003 Jan; 9(1):BR37-42. doi: NULL. [PMID: 12552235]
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  • P Osterlund, A Orpana, I Elomaa, H Repo, H Joensuu. Raltitrexed treatment promotes systemic inflammatory reaction in patients with colorectal carcinoma. British journal of cancer. 2002 Sep; 87(6):591-9. doi: 10.1038/sj.bjc.6600520. [PMID: 12237767]
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  • C Fleck, R Hilger, S Jurkutat, E Karge, U Merkel, A Schimske, J Schubert. Ex vivo stimulation of renal transport of the cytostatic drugs methotrexate, cisplatin, topotecan (Hycamtin) and raltitrexed (Tomudex) by dexamethasone, T3 and EGF in intact human and rat kidney tissue and in human renal cell carcinoma. Urological research. 2002 Sep; 30(4):256-62. doi: 10.1007/s00240-002-0265-2. [PMID: 12202944]
  • Clasina L van der Wilt, Kees Smid, Godefridus J Peters. Effects of antifolates on the binding of 5-fluoro-2'-deoxyuridine monophosphate to thymidylate synthase. Biochemical pharmacology. 2002 Aug; 64(4):669-75. doi: 10.1016/s0006-2952(02)01219-4. [PMID: 12167486]
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  • D C Farrugia, G W Aherne, L Brunton, S J Clarke, A L Jackman. Leucovorin rescue from raltitrexed (tomudex)-induced antiproliferative effects: in vitro cell line and in vivo mouse studies. Clinical cancer research : an official journal of the American Association for Cancer Research. 2000 Sep; 6(9):3646-56. doi: NULL. [PMID: 10999757]
  • M M Eatock, D A Anthony, M El-Abassi, P Wilson, J Paul, M Smith, M Soukop, T R Evans. A dose-finding study of raltitrexed (tomudex) with cisplatin and epirubicin in advanced gastro-oesophageal adenocarcinoma. British journal of cancer. 2000 Jun; 82(12):1925-31. doi: 10.1054/bjoc.2000.1165. [PMID: 10864199]
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