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183204-74-2 | 2,4(1H,3H)-Pyrimidinedione, 5-chloro-6-[(2-imino-1-pyrrolidinyl)methyl]-
CAS No: 183204-74-2 Catalog No: AG0027EV MDL No:
Product Description
Catalog Number:
AG0027EV
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-chloro-6-[(2-imino-1-pyrrolidinyl)methyl]-
CAS Number:
183204-74-2
Molecular Formula:
C9H11ClN4O2
Molecular Weight:
242.6622
IUPAC Name:
5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)
InChI Key:
QQHMKNYGKVVGCZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(CN2CCCC2=N)c(c(=O)[nH]1)Cl
UNII:
NGO10K751P
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.663g/mol
Monoisotopic Mass:
242.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| A phase 1 study of the pharmacokinetics of nucleoside analog trifluridine and thymidine phosphorylase inhibitor tipiracil (components of TAS-102) vs trifluridine alone. | Investigational new drugs 20170101 |
| Emerging combination therapies for metastatic colorectal cancer - impact of trifluridine/tipiracil. | Cancer management and research 20170101 |
| Effect of food on the pharmacokinetics of TAS-102 and its efficacy and safety in patients with advanced solid tumors. | Cancer science 20160501 |
| Trifluridine/Tipiracil (Lonsurf) for the Treatment of Metastatic Colorectal Cancer. | P & T : a peer-reviewed journal for formulary management 20160501 |
| Human mass balance study of TAS-102 using (14)C analyzed by accelerator mass spectrometry. | Cancer chemotherapy and pharmacology 20160301 |
| TAS-102, a novel antitumor agent: a review of the mechanism of action. | Cancer treatment reviews 20151101 |
| Repeated oral dosing of TAS-102 confers high trifluridine incorporation into DNA and sustained antitumor activity in mouse models. | Oncology reports 20141201 |
| TAS-102: more than an antimetabolite. | The Lancet. Oncology 20121201 |
| Fluorophosphonylated nucleoside derivatives as new series of thymidine phosphorylase multisubstrate inhibitors. | Journal of medicinal chemistry 20120322 |
| Platelet derived endothelial cell growth factor/thymidine phosphorylase enhanced human IgE production. | Allergology international : official journal of the Japanese Society of Allergology 20110301 |
| The role of phosphate in the action of thymidine phosphorylase inhibitors: Implications for the catalytic mechanism. | Bioorganic & medicinal chemistry letters 20100301 |
| [Influence of the thymidine phosphorylase (platelet-derived endothelial cell growth factor) on tumor angiogenesis. Catalytic activity of enzyme inhibitors]. | Postepy biochemii 20100101 |
| Discovery of 5-substituted-6-chlorouracils as efficient inhibitors of human thymidine phosphorylase. | Journal of medicinal chemistry 20071129 |
| Therapeutic potential of the dual-targeted TAS-102 formulation in the treatment of gastrointestinal malignancies. | Cancer science 20070601 |
| Thymidine phosphorylase from Escherichia coli: tight-binding inhibitors as enzyme active-site titrants. | Journal of enzyme inhibition and medicinal chemistry 20060201 |
| Cooperative stimulation of vascular endothelial growth factor expression by hypoxia and reactive oxygen species: the effect of targeting vascular endothelial growth factor and oxidative stress in an orthotopic xenograft model of bladder carcinoma. | British journal of cancer 20050509 |
| Pharmacokinetic modeling of species-dependent enhanced bioavailability of trifluorothymidine by thymidine phosphorylase inhibitor. | Drug metabolism and pharmacokinetics 20040601 |
| Thymidine kinase and thymidine phosphorylase level as the main predictive parameter for sensitivity to TAS-102 in a mouse model. | Oncology reports 20040201 |
| Crystal structure of human thymidine phosphorylase in complex with a small molecule inhibitor. | Structure (London, England : 1993) 20040101 |
| Identification of a novel class of inhibitor of human and Escherichia coli thymidine phosphorylase by in silico screening. | Bioorganic & medicinal chemistry letters 20031103 |
| Thymidine phosphorylase and 2-deoxyribose stimulate human endothelial cell migration by specific activation of the integrins alpha 5 beta 1 and alpha V beta 3. | The Journal of biological chemistry 20030523 |
| Design of novel N-(2,4-dioxo-1,2,3,4-tetrahydro-thieno[3,2-d]pyrimidin-7-yl)-guanidines as thymidine phosphorylase inhibitors, and flexible docking to a homology model. | Bioorganic & medicinal chemistry letters 20030106 |
| Significance of platelet-derived endothelial cell growth factor in the angiogenesis of human gastric cancer. | Clinical cancer research : an official journal of the American Association for Cancer Research 19980201 |
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