Details of the Drug

General Information of Drug (ID: DMI36WC)

Drug Name

1,4-Diethylene Dioxide

Synonyms

1,4-DIOXANE; Dioxane; 123-91-1; p-Dioxane; 1,4-Diethylene dioxide; Diethylene ether; Dioxan; 1,4-Dioxacyclohexane; Dioxanne; Tetrahydro-p-dioxin; Di(ethylene oxide); Tetrahydro-1,4-dioxin; Dioxane-1,4; Diethylene dioxide; Glycol ethylene ether; 1,4-Dioxan; p-Dioxan; Dioxan-1,4; Dioxyethylene ether; Dioksan; Diokan; para-Dioxane; Tetrahydro-para-dioxin; Diossano-1,4; Dioxaan-1,4; p-Dioxin, tetrahydro-; Glycolethylenether; Dioksan [Polish]; Dioxanne [French]; RCRA waste number U108; p-Dioxan [Czech]; 1,4-Dioxanne; NCI-C03689

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

88.11

Topological Polar Surface Area (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C4H8O2
IUPAC Name: 1,4-dioxane
Canonical SMILES: C1COCCO1
InChI: InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKey: RYHBNJHYFVUHQT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 31275
ChEBI ID: CHEBI:47032
CAS Number: 123-91-1
DrugBank ID: DB03316
TTD ID: D08AMH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
B-cell-activating factor (TNFSF13B)	TTWMIDN	TN13B_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
2	Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4	Tabalumab, an anti-BAFF monoclonal antibody, in patients with active rheumatoid arthritis with an inadequate response to TNF inhibitors. Ann Rheum Dis. 2013 Sep 1;72(9):1461-8.
5	Development of an ICOSL and BAFF bispecific inhibitor AMG 570 for systemic lupus erythematosus treatment. Clin Exp Rheumatol. Nov-Dec 2019;37(6):906-914.
6	Emerging drugs for idiopathic thrombocytopenic purpura in adults. Expert Opin Emerg Drugs. 2008 Jun;13(2):237-54.
7	Fusion Toxin BLyS-Gelonin Inhibits Growth of Malignant Human B Cell Lines In Vitro and In Vivo. PLoS One. 2012; 7(10): e47361.
8	BAFF: B cell survival factor and emerging therapeutic target for autoimmune disorders. Expert Opin Ther Targets. 2003 Feb;7(1):115-23.