| Identification |
| Chemical Name |
ethyl pyruvate |
| Accession Number |
HAMDB712 |
| Alternative Names |
ethyl pyruvate |
| IUPAC Name |
ethyl 2-oxopropanoate |
| Formula |
C5H8O3 |
| Canonical SMILES |
CCOC(=O)C(=O)C |
| Structure |
C(=O)C/PNG)
|
| Physicochemical Properties |
| Molecular Weight |
116.116Molecular weight |
| Hbond Donor |
0Number of hydrogen bond acceptor atoms
(not counting acidic atoms but counting atoms that are both hydrogen bond donors and acceptors such as -OH).
|
| Hbond Acceptor |
2
Number of hydrogen bond donor atoms (not counting basic atoms but counting atoms that are both hydrogen bond donors and acceptors such as -OH).
|
| logP (o/w) |
0.081
Log of the octanol/water partition coefficient (including implicit hydrogens). [LOGP 1998]
|
| logS |
-0.665
Log of the aqueous solubility (mol/L).
|
| MR |
2.916
Molecular refractivity (including implicit hydrogens).
|
| SlogP |
0.139
Log of the octanol/water partition coefficient. [Crippen 1999]
|
| TPSA |
43.370
Polar surface area (Å2) calculated using group contributions to approximate the polar surface area from connection table information only. The parameterization is that of Ertl et al. [Ertl 2000].
|
| logD (PH=7) |
0.820
The octanol/water distribution coefficient at pH 7.
|
| pKa (PH=7) |
14.000
The pKa of the reaction that removes a proton from the ensemble of states with a hydrogen count equal to the input structure.
|
| pKb (PH=7) |
14.000
The pKb of the reaction that adds a proton from the ensemble of states with a hydrogen count equal to the input structure.
|
| Lipinski druglike |
1
One if and only if lip_violation < 2 otherwise zero.
|
| Solubility |
|
| Role in Autophagy |
|
1 related item(s)
1. ethyl pyruvate |
| Chemical Name |
ethyl pyruvate |
| Relationship with Autophagy |
increased activity of ethyl pyruvate decreases autophagy of fibroblast cell lines
|
| Mutation Evidence
|
wild type |
| Biomarker Application
|
not applicable |
| Species Evidence
|
Mouse |
| Drug Target Evidence
|
not applicable |
| Expression Evidence
|
not applicable |
| Causal or Correlated
|
causal |
| Findings |
1 |
References
- Tang D, Kang R, Livesey Km, Cheh Cw, Farkas A, Loughran P, Hoppe G, Bianchi Me, Tracey Kj, Zeh Hj 3rd, Lotze Mt, Endogenous Hmgb1 Regulates Autophagy., J Cell Biol.2010 Sep 6;190(5):881-92. Doi: 10.1083/jcb.200911078. [PMID:20819940 ]
|
| Biological Behaviors |
| Gene Name |
TP53 |
| Target |
Tumor necrosis factor; High mobility group protein B1 |
| Pathway |
Not Available |
| Biological Description |
Not Available |
| Research Area |
Not Available |
| Category |
Not Available |
| In Vitro |
Not Available |
| In Vivo |
Not Available |
| Clinical Trial |
Not Available |
| External Links |
| CAS Numbers |
617-35-6 |
| Pubchem |
12041 |
| HMDB |
HMDB31643 |
| DrugBank |
DB05869 |
| References |
- Wu Jh, Guo Jp, Shi J, Wang H, Cma Down-regulates P53 Expression Through Degradation Of Hmgb1 Protein To Inhibit Irradiation-triggered Apoptosis In Hepatocellular Carcinoma., World J Gastroenterol. 2017 Apr 7;23(13):2308-2317. Doi: 10.3748/wjg.v23.i13.2308. [PMID:28428710 ]
- Zhu Q, Wang H, Wang H, Luo Y, Protective Effects Of Ethyl Pyruvate On Lipopolysaccharide‑induced Acute Lung Injury Through Inhibition Of Autophagy In Neutrophils., Mol Med Rep. 2017 Mar;15(3):1272-1278. Doi: 10.3892/mmr.2017.6118. [PMID:28098908 ]
|
