Details of the Drug

General Information of Drug (ID: DMKNIVG)

Drug Name
Sodium butyrate
Synonyms
Butyrate sodium; Sodium butanoate; Sodium propanecarboxylate; OR8783; Butanoic acid, sodium salt; Butyric Acid, Na; Sodium butyrate (USP); Sodium n-butyrate; TPA/BA; Tetradecanoyl phorbol acetate/ sodium butyrate; Butanoic acid, sodium salt (1:1); Tetradecanoyl phorbol acetate (TPA)/ sodium butyrate (BA)
Indication
Disease Entry ICD 11 Status REF
Acute myeloid leukaemia 2A60 Phase 2 [1]
Refractory sickle cell ulcers 3A51 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 110.09
Topological Polar Surface Area Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C4H7NaO2
IUPAC Name
sodium;butanoate
Canonical SMILES
CCCC(=O)[O-].[Na+]
InChI
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKey
MFBOGIVSZKQAPD-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
5222465
ChEBI ID
CHEBI:64103
CAS Number
156-54-7
TTD ID
D0I7IB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase 1 (HDAC1) TT6R7JZ HDAC1_HUMAN Inhibitor [2], [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Acute myeloid leukaemia
ICD Disease Classification 2A60
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histone deacetylase 1 (HDAC1) DTT HDAC1 6.27E-01 0.11 0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The enhancement of phase 2 enzyme activities by sodium butyrate in normal intestinal epithelial cells is associated with Nrf2 and p53. Mol Cell Biochem. 2012 Nov;370(1-2):7-14.
2 Anticancer activities of histone deacetylase inhibitors. Nat Rev Drug Discov. 2006 Sep;5(9):769-84.
3 Two histone deacetylase inhibitors, trichostatin A and sodium butyrate, suppress differentiation into osteoclasts but not into macrophages. Blood. 2003 May 1;101(9):3451-9.
4 Protein methyltransferases as a target class for drug discovery. Nat Rev Drug Discov. 2009 Sep;8(9):724-32.
5 Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
6 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
7 Emerging drugs for the therapy of primary and post essential thrombocythemia, post polycythemia vera myelofibrosis. Expert Opin Emerg Drugs. 2009 Sep;14(3):471-9.
8 NVP-LAQ824 is a potent novel histone deacetylase inhibitor with significant activity against multiple myeloma. Blood. 2003 Oct 1;102(7):2615-22.
9 Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127.
10 Emerging disease-modifying therapies for the treatment of motor neuron disease/amyotropic lateral sclerosis. Expert Opin Emerg Drugs. 2007 May;12(2):229-52.
11 2011 Pipeline of 4SC AG.