Ethyl-4-[4-[(5-Nitro-2-Furanyl)Methylene]-3,5-Dioxo-1-Pyrazolyl]Benzoate 4-[4-[(5-硝基-2-呋喃基)亚甲基]-3,5-二氧代-1-吡唑烷基]苯甲酸乙酯
CAS 418805-02-4 MFCD18805024
化学结构图
SMILES: CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1
化学属性
| Mol. Formula | C17H13N3O7 |
|---|---|
| Mol. Weight | 371.30102 |
| Appearance | Brown solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | Ethyl-4-[4-[(5-Nitro-2-Furanyl)Methylene]-3,5-Dioxo-1-Pyrazolyl]Benzoate |
|---|---|
| Chemical Name Translation | 4-[4-[(5-硝基-2-呋喃基)亚甲基]-3,5-二氧代-1-吡唑烷基]苯甲酸乙酯 |
| Chemicalbook ID | CB62535692 |
| Formula | C17H13N3O7 |
| Synonym | PYR41; PYR 41; PYR-41. |
| IUPAC Name | ethyl 4-(4-((5-nitrofuran-2-yl)methylene)-3,5-dioxopyrazolidin-1-yl)benzoate |
| InChIKey | ARGIPZKQJGFSGQ-LCYFTJDESA-N |
| InChI | InChI=1S/C17H13N3O7/c1-2-26-17(23)10-3-5-11(6-4-10)19-16(22)13(15(21)18-19)9-12-7-8-14(27-12)20(24)25/h3-9H,2H2,1H3,(H,18,21)/b13-9- |
| Canonical SMILES | O=C(OCC)C1=CC=C(N2NC(/C(C2=O)=C/C3=CC=C([N+]([O-])=O)O3)=O)C=C1 |
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产品应用
- PYR-41 is a ubiquitin-activating enzyme inhibitor (UBE1 inhibitor). PYR-41 blocks ubiquitination reactions but paradoxically leads to the accumulation of high MW ubiquitinated proteins. PYR-41 also mediated cross-linking of specific protein kinases (Bcr-Abl, Jak2) to inhibit their signaling activity. PYR-41 has demonstrated anti-tumor activity in animal studies, partially selective protein cross-linking may represent an alternate approach to affect signal transduction modules and ubiquitin cycle-regulatory proteins for cancer therapy. (Biochem Pharmacol. 2011 Aug 15;82(4):341-9.) (Note: PYR-41 in solution may exist as a mixture of E- and Z- isomers. HPLC may show two peaks depending on conditions).
相关文献及参考
- [2]. Kapuria V, et al. Protein cross-linking as a novel mechanism of action of a ubiquitin-activating enzyme inhibitor with anti-tumor activity. Biochem Pharmacol. 2011 Aug 15;82(4):341-9.
- [1]. Yang Y, et al. Inhibitors of ubiquitin-activating enzyme (E1), a new class of potential cancer therapeutics. Cancer Res. 2007 Oct 1;67(19):9472-81.
- [1]. Yang Y, et al. Inhibitors of ubiquitin-activating enzyme (E1), a new class of potential cancer therapeutics. Cancer Res. 2007 Oct 1;67(19):9472-81.
- [2]. Kapuria V, et al. Protein cross-linking as a novel mechanism of action of a ubiquitin-activating enzyme inhibitor with anti-tumor activity. Biochem Pharmacol. 2011 Aug 15;82(4):341-9.
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