NAV

Bisphenol A diglycidyl ether

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Bisphenol A diglycidyl ether
DrugBank Accession Number
DB14083
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
 3D
Similar Structures
Weight
Average: 340.4129
Monoisotopic: 340.167459256
Chemical Formula
C21H24O4
Synonyms
  • 2,2-Bis(4-glycidyloxyphenyl)propane
  • 2,2-bis(4'-glycidyloxyphenyl)propane
  • 4,4'-isopropylidenediphenol diglycidyl ether
  • Bisphenol diglycidyl ether
  • DGEBPA
  • Diglycidyl bisphenol A ether
External IDs
  • D.E.R. 332
  • EP 274
  • ERL-2774
  • GY 6010

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Target Actions Organism
UCation channel sperm-associated protein 1
activator
 Humans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

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This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
No interactions found.

Products

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Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image
T.R.U.E. Test Thin-Layer Rapid Use Patch Test Bisphenol A diglycidyl ether(32 ug/48h)+2,2'-Dibenzothiazyl disulfide(20 ug/48h)+2-mercaptobenzothiazole(61 ug/48h)+4-(Isopropylamino)diphenylamine(10 ug/48h)+Bacitracin(486 ug/48h)+Balsam of Peru(648 ug/48h)+Benzocaine(378 ug/48h)+Benzylparaben(162 ug/48h)+Bromothalonil(4 ug/48h)+Bronopol(203 ug/48h)+Budesonide(0.8 ug/48h)+Butylparaben(162 ug/48h)+Chlorquinaldol(77 ug/48h)+Cinchocaine hydrochloride(66 ug/48h)+Cinnamaldehyde(41 ug/48h)+Cinnamyl alcohol(63 ug/48h)+Clioquinol(77 ug/48h)+Cobalt chloride hexahydrate(4 ug/48h)+Diazolidinylurea(446 ug/48h)+Potassium dichromate(15.7 ug/48h)+Dipentamethylenethiuram disulfide(5.5 ug/48h)+Diphenylguanidine(68 ug/48h)+分散蓝106(41 ug/48h)+Disulfiram(5.5 ug/48h)+Ditiocarb zinc(68 ug/48h)+Ethyl hydroxybenzoate(162 ug/48h)+Ethylenediamine(18 ug/48h)+Eugenol(41 ug/48h)+Evernia prunastri(81 ug/48h)+Formaldehyde(146 ug/48h)+Geraniol(81 ug/48h)+Hydrocortisone butyrate(16 ug/48h)+Hydroxycitronellal(63 ug/48h)+Imidurea(486 ug/48h)+Isoeugenol(17 ug/48h)+Lanolin alcohols(810 ug/48h)+Methylchloroisothiazolinone(3 ug/48h)+Methylparaben(162 ug/48h)+Morpholinylmercaptobenzothiazole(20 ug/48h)+N,N'-diphenyl-1,4-phenylenediamine(25 ug/48h)+N-Cyclohexyl-N'-phenyl-1,4-phenylenediamine(25 ug/48h)+Neomycin sulfate(486 ug/48h)+Nickel sulfate hexahydrate(36 ug/48h)+Parthenolide(2 ug/48h)+Propylparaben(162 ug/48h)+Quaternium-15(81 ug/48h)+Rosin(972 ug/48h)+Sodium aurotiosulfate(23 ug/48h)+Tetracaine hydrochloride(66 ug/48h)+Tetramethylthiuram monosulfide(5.5 ug/48h)+Thimerosal(6 ug/48h)+Thiohexam(20 ug/48h)+Thiram(5.5 ug/48h)+Tixocortol pivalate(2 ug/48h)+Zinc dibutyldithiocarbamate(68 ug/48h)+alpha-Amyl cinnamaldehyde(17 ug/48h)+p-Phenylenediamine(65 ug/48h)+p-tert-Butylphenol-formaldehyde resin (low molecular weight)(36 ug/48h) Kit Cutaneous SmartPractice Denmark ApS 2012-03-01 Not applicable US flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
F3XRM1NX4H
CAS number
1675-54-3
InChI Key
LCFVJGUPQDGYKZ-UHFFFAOYSA-N
InChI
InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
IUPAC Name
2-{[4-(2-{4-[(oxiran-2-yl)methoxy]phenyl}propan-2-yl)phenoxy]methyl}oxirane
SMILES
CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1

References

General References
Not Available
Human Metabolome Database
HMDB0032737
KEGG Compound
C14348
ChemSpider
2199
BindingDB
50241439
RxNav
1368138
ChEBI
34578
ChEMBL
CHEMBL258558
Wikipedia
Bisphenol_A_diglycidyl_ether

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count

Pharmacoeconomics

制造商
Not Available
Packagers
Not Available
Dosage Forms
Form Route Strength
Kit Cutaneous
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
Property Value Source
Water Solubility 0.000822 mg/mL ALOGPS
logP 4.67 ALOGPS
logP 4.02 Chemaxon
logS -5.6 ALOGPS
pKa (Strongest Basic) -3.8 Chemaxon
Physiological Charge 0 Chemaxon
Hydrogen Acceptor Count 4 Chemaxon
Hydrogen Donor Count 0 Chemaxon
Polar Surface Area 43.52 Å2 Chemaxon
Rotatable Bond Count 8 Chemaxon
Refractivity 105.73 m3·mol-1 Chemaxon
Polarizability 38.23 Å3 Chemaxon
Number of Rings 4 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule Yes Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Spectrum Spectrum Type Splash Key
Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available

Targets

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Details 1.Cation channel sperm-associated protein 1
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Activator
General Function
电压门控钙通道,plays a central role in calcium-dependent physiological responses essential for successful fertilization, such as sperm hyperactivation, acrosome reaction and chemotaxis towards the oocyte.
Specific Function
Calcium activated cation channel activity
Gene Name
CATSPER1
Uniprot ID
Q8NEC5
Uniprot Name
Cation channel sperm-associated protein 1
分子Weight
90090.225 Da
References
  1. Rehfeld A, Andersson AM, Skakkebaek NE: Bisphenol A Diglycidyl Ether (BADGE) and Bisphenol Analogs, but Not Bisphenol A (BPA), Activate the CatSper Ca(2+) Channel in Human Sperm. Front Endocrinol (Lausanne). 2020 May 19;11:324. doi: 10.3389/fendo.2020.00324. eCollection 2020. [Article]

Drug created at June 17, 2018 22:15 / Updated at June 22, 2021 01:06