Terameprocol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Terameprocol
Accession Number
DB12226
Type
Small Molecule
Groups
Investigational
Description

Terameprocol has been investigated for the treatment of Brain and Central Nervous System Tumors.

Structure
Thumb
Synonyms
  • meso-Tetra-O-methylnordihydroguaiaretic acid
  • meso-Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol
  • Terameprocol
External IDs
EM 1421 / EM-1421
Categories
UNII
53YET703F2
CAS number
24150-24-1
Weight
Average: 358.478
Monoisotopic: 358.214409446
Chemical Formula
C22H30O4
InChI Key
ORQFDHFZSMXRLM-IYBDPMFKSA-N
InChI
InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+
IUPAC Name
4-[(2R,3S)-3-[(3,4-dimethoxyphenyl)methyl]-2-methylbutyl]-1,2-dimethoxybenzene
SMILES
COC1=CC=C(C[C@H](C)[C@H](C)CC2=CC=C(OC)C(OC)=C2)C=C1OC

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
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
Not Available

References

General References
Not Available
External Links
PubChem Compound
476861
PubChem Substance
347828505
ChemSpider
418597
ChEMBL
CHEMBL90983

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentHigh Grade Glioma (III or IV)1
1CompletedTreatmentMalignancies1
1CompletedTreatmentNeoplasms, Head and Neck1
1TerminatedTreatmentAcute Lymphocytic Leukemia (ALL) / Adult T Cell Leukemia (ATL) / Chronic Lymphocytic Leukaemia (CLL) / Chronic Myeloid Leukemia (CML-BP) / Chronic Myelomonocytic Leukemia (CMML) / Leukemia Acute Myeloid Leukemia (AML) / Leukemias / Myelodysplastic Syndromes (MDS)1
1TerminatedTreatmentMalignant Lymphomas / Refractory Solid Tumors1
1, 2CompletedTreatmentBrain and Central Nervous System Tumors1
1, 2CompletedTreatmentCervical Intraepithelial Neoplasia (CIN)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000192 mg/mLALOGPS
logP5.77ALOGPS
logP5.34ChemAxon
logS-6.3ALOGPS
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area36.92 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity104.55 m3·mol-1ChemAxon
Polarizability41.9 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

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

Taxonomy

Description
This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.
Kingdom
Organic compounds
Super Class
Lignans, neolignans and related compounds
Class
Dibenzylbutane lignans
Sub Class
Not Available
Direct Parent
Dibenzylbutane lignans
Alternative Parents
Dimethoxybenzenes / Phenylpropanes / Phenoxy compounds / Anisoles / Alkyl aryl ethers / Hydrocarbon derivatives
Substituents
Dibenzylbutane lignan skeleton / Dimethoxybenzene / O-dimethoxybenzene / Phenylpropane / Phenol ether / Phenoxy compound / Anisole / Methoxybenzene / Alkyl aryl ether / Benzenoid
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:40 / Updated on September 02, 2019 19:38