NAV

TPI-287

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

Identification

Generic Name
TPI-287
DrugBank Accession Number
DB17168
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 870.002
Monoisotopic: 869.419770333
Chemical Formula
C46H63NO15
Synonyms
  • (2'R,3'S)-2'-hydroxy-N-carboxy-3'-amino-5'-methyl-hexanoic,N-tert-butyl ester, 13 ester 5B-20-epoxy-1B,2a,4a,7B,9a,10a,13a-heptahydroxy-4,10-diacetate-2-benzoate-(1"S)-7,9-acrolein acetal-11(15-1)-abeotaxane
  • TPI-287
External IDs
  • TPI 287
  • TPI-287
  • TPI287
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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
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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
A2VM2V569A
CAS number
849213-15-6
InChI Key
FDTAUJJRHBRHIJ-FDJAAIFISA-N
InChI
InChI=1S/C46H63NO15/c1-13-32-58-30-20-31-45(22-55-31,61-26(6)49)36-38(60-39(51)27-17-15-14-16-18-27)46(54)21-29(57-40(52)34(50)28(19-23(2)3)47-41(53)62-42(7,8)9)24(4)33(43(46,10)11)35(56-25(5)48)37(59-32)44(30,36)12/h13-18,23,28-32,34-38,50,54H,1,19-22H2,2-12H3,(H,47,53)/t28-,29-,30-,31+,32?,34+,35-,36-,37-,38-,44+,45-,46+/m0/s1
IUPAC Name
(1R,2S,5R,7S,11R,12S,15S,17S,18S,19S)-2,12-bis(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-5-methylhexanoyl]oxy}-9-ethenyl-17-hydroxy-14,19,20,20-tetramethyl-4,8,10-trioxapentacyclo[9.7.1.1^{13,17}.0^{2,5}.0^{7,19}]icos-13-en-18-yl benzoate
SMILES
[H][C@@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@H](OC(C)=O)[C@@H]4OC(O[C@@H](C[C@H]5OC[C@@]15OC(C)=O)[C@]24C)C=C)C3(C)C

References

General References
Not Available
ChemSpider
9738939

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentGlioblastoma Multiforme (GBM)1
1CompletedOtherAlzheimer's Disease (AD)1
1CompletedTreatmentCortical Basal Syndrome (CBS) / Corticobasal Degeneration Syndrome (CBD) / Primary Four Repeat Tauopathies (4RT) / Progressive Supranuclear Palsy (PSP)1
1, 2SuspendedTreatmentGlioblastoma Multiforme (GBM)1
1, 2TerminatedTreatmentBrain Neoplasm / Central Nervous System Neoplasm1

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 Solubility0.00868 mg/mLALOGPS
logP4.03ALOGPS
logP4.65Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)12.07Chemaxon
pKa (Strongest Basic)-3.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area211.68 Å2Chemaxon
Rotatable Bond Count17Chemaxon
Refractivity218.99 m3·mol-1Chemaxon
Polarizability90.37 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 22, 2022 22:26 / Updated at July 18, 2023 22:58