Drug Details
| General Information of the Drug (ID: DR4815) | ||||
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| Name |
PX-478
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| Synonyms |
PX-478; 685898-44-6; PX-478 2HCl; UNII-T23U22X160; PX478; PX 478; PX-478 HCl; CHEMBL4061538; (S)-4-(2-amino-2-carboxyethyl)-N,N-bis(2-chloroethyl)aniline oxide dihydrochloride; T23U22X160; L-Phenylalanine, 4-[bis(2-chloroethyl)oxidoaMino]-, (Hydrochloride) (1; 685898-44-6 (HCl); PX-478 dihydrochloride; 4-[Bis(2-chloroethyl)oxidoamino]-L-phenylalanine; Melphalan N-Oxide Impurity HCl; C13H18Cl2N2O3.2ClH; SCHEMBL18548830; DTXSID00218688; 4-[(2S)-2-amino-2-carboxyethyl]-N,N-bis(2-chloroethyl)benzeneamine oxide;dihydrochloride; EX-A4655; 2675AH; BDBM50231387; s7612; 2-Amino-3-(4'-N,N-bis(2-chloroethyl)amino)phenylpropionic acid N-oxide; CCG-268582; CS-5164; DB06082; HY-10231; A14319; Z-3209; Q27289565; L-Phenylalanine, 4-(bis(2-chloroethyl)oxidoamino)-, dihydrochloride
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| Molecular Type |
Small molecule
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| Disease | Solid tumour/cancer [ICD-11: 2A00-2F9Z] | Phase 1 | [1] | |
| Structure |
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Click to Download Mol2D MOL |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C13H20Cl4N2O3
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| PubChem CID | ||||
| Canonical SMILES |
C1=CC(=CC=C1CC(C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.Cl
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| InChI |
1S/C13H18Cl2N2O3.2ClH/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;;/h1-4,12H,5-9,16H2,(H,18,19);2*1H/t12-;;/m0../s1
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| InChIKey |
GIGCDIVNDFQKRA-LTCKWSDVSA-N
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| CAS Number |
CAS 685898-44-6
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| TTD Drug ID | ||||
| DrugBank ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Arsenic trioxide | Realgar and orpiment | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Up-regulation | Cleavage | CASP3 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | FOXO1 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | HIF-1A | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | VEGFA | Molecule Info |
Pathway MAP
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| In-vitro Model | PANC-1 | CVCL_0480 | Pancreatic ductal adenocarcinoma | Homo sapiens | ||
| BxPC-3 | CVCL_0186 | Pancreatic ductal adenocarcinoma | Homo sapiens | |||
| Experimental
Result(s) |
Arsenic trioxide plus PX-478 achieves effective treatment in pancreatic ductal adenocarcinoma. | |||||
| Target and Pathway | ||||
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| Target(s) | Hypoxia-inducible factor 1 alpha (HIF-1A) | Molecule Info | [3] | |
| KEGG Pathway | HIF-1 signaling pathway | Click to Show/Hide | ||
| 2 | mTOR signaling pathway | |||
| 3 | Thyroid hormone signaling pathway | |||
| 4 | Pathways in cancer | |||
| 5 | Proteoglycans in cancer | |||
| 6 | Renal cell carcinoma | |||
| 7 | Central carbon metabolism in cancer | |||
| 8 | Choline metabolism in cancer | |||
| NetPath Pathway | IL5 Signaling Pathway | Click to Show/Hide | ||
| 2 | Notch Signaling Pathway | |||
| Panther Pathway | Angiogenesis | Click to Show/Hide | ||
| 2 | Hypoxia response via HIF activation | |||
| 3 | VEGF signaling pathway | |||
| Pathway Interaction Database | AP-1 transcription factor network | Click to Show/Hide | ||
| 2 | Hypoxic and oxygen homeostasis regulation of HIF-1-alpha | |||
| 3 | VEGFR1 specific signals | |||
| 4 | HIF-1-alpha transcription factor network | |||
| 5 | Notch-mediated HES/HEY network | |||
| Reactome | Regulation of gene expression by Hypoxia-inducible Factor | Click to Show/Hide | ||
| 2 | Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha | |||
| 3 | BMAL1:CLOCK,NPAS2 activates circadian gene expression | |||
| 4 | NOTCH1 Intracellular Domain Regulates Transcription | |||
| 5 | Circadian Clock | |||
| WikiPathways | SIDS Susceptibility Pathways | Click to Show/Hide | ||
| 2 | Notch Signaling Pathway | |||
| 3 | Vitamin D Receptor Pathway | |||
| 4 | Regulation of Hypoxia-inducible Factor (HIF) by Oxygen | |||
| 5 | Signaling by NOTCH1 | |||
| 6 | Oncostatin M Signaling Pathway | |||
| 7 | Adipogenesis | |||
| 8 | AGE/RAGE pathway | |||
| 9 | Circadian Clock | |||
| 10 | Angiogenesis | |||
