NAV

Pittsburgh Compound B

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

Identification

Generic Name
Pittsburgh Compound B
DrugBank Accession Number
DB15161
Background

Pittsburgh Compound B is under investigation in clinical trial NCT01723553 (Amyloid-related Imaging Abnormalities (Microbleeds) in Atypical AD).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 255.32
Monoisotopic: 255.078468006
Chemical Formula
C14H12N2OS
Synonyms
  • (N-methyl-(11C))2-(4'-methylaminophenyl)-6-hydroxybenzothiazole
  • 2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole
  • C-11 PiB
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

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

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
7P55415B0R
CAS number
566170-04-5
InChI Key
ZQAQXZBSGZUUNL-BJUDXGSMSA-N
InChI
InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3/i1-1
IUPAC Name
2-{4-[(11C)methylamino]phenyl}-1,3-benzothiazol-6-ol
SMILES
[11CH3]NC1=CC=C(C=C1)C1=NC2=C(S1)C=C(O)C=C2

References

General References
Not Available
ChemSpider
2104829
ChEMBL
CHEMBL207456

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4Active Not RecruitingDiagnosticAlzheimer's Disease (AD)1
4Enrolling by InvitationDiagnosticAlzheimer's Disease (AD) / Dementia With Lewy Body Disease / Frontal Temporal Dementia (FTD) / Vascular Dementia (VaD)1
4Enrolling by InvitationDiagnosticDementia With Lewy Body Disease1
2CompletedBasic ScienceAlzheimer's Disease (AD)1
2CompletedDiagnosticAlzheimer's Disease (AD)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 Solubility0.0162 mg/mLALOGPS
logP4.11ALOGPS
logP3.31Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)9.23Chemaxon
pKa (Strongest Basic)3.65Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area45.15 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity84.4 m3·mol-1Chemaxon
Polarizability28.12 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-dc2dd3d5540ede87a2ce
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-9252c72276ab3c45dde0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-688ac833c57ead28c893
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0960000000-29e80604487872234d07
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0lfr-9670000000-a9803458e6234fe4bc8c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fft-0920000000-7c5ed208854e90846d14
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-168.8504281
predicted
DarkChem Lite v0.1.0
[M+H]+169.4969281
predicted
DarkChem Lite v0.1.0
[M+Na]+169.1293281
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 14:55 / Updated at June 12, 2020 16:53