NAV

Pinometostat

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

Identification

Generic Name
Pinometostat
DrugBank Accession Number
DB12920
Background

Pinometostat has been used in trials studying the treatment of Leukemia, Acute Leukemias, Acute Myeloid Leukemia, Myelodysplastic Syndrome, and Acute Lymphocytic Leukemia, among others.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 562.7063
Monoisotopic: 562.33798725
Chemical Formula
C30H42N8O3
Synonyms
  • 9H-PURIN-6-AMINE, 9-(5-DEOXY-5-((CIS-3-(2-(6-(1,1-DIMETHYLETHYL)-1H-BENZIMIDAZOL-2-YL)ETHYL)CYCLOBUTYL)(1-METHYLETHYL)AMINO)-.BETA.-D-RIBOFURANOSYL)-
  • Pinometostat
  • PINOMETOSTAT ANHYDROUS
External IDs
  • EPZ 5676
  • EPZ-005676
  • EPZ-5676
  • EPZ5676
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Pinometostat is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Pinometostat is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Pinometostat is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Pinometostat is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Pinometostat is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
5'-deoxyribonucleosides
Sub Class
Not Available
Direct Parent
5'-deoxyribonucleosides
Alternative Parents
Glycosylamines / Pentoses / 6-aminopurines / Benzimidazoles / Aminopyrimidines and derivatives / Aralkylamines / N-substituted imidazoles / Imidolactams / Benzenoids / Tetrahydrofurans
show 9 more
Substituents
1,2-diol / 5'-deoxyribonucleoside / 6-aminopurine / Alcohol / Amine / Aminopyrimidine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azole
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8V9YR09EF3
CAS number
1380288-87-8
InChI Key
LXFOLMYKSYSZQS-LURJZOHASA-N
InChI
InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1
IUPAC Name
(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-{[(propan-2-yl)[(1r,3s)-3-[2-(6-tert-butyl-1H-1,3-benzodiazol-2-yl)ethyl]cyclobutyl]amino]methyl}oxolane-3,4-diol
SMILES
[H][C@]1(CCC2=NC3=C(N2)C=C(C=C3)C(C)(C)C)C[C@]([H])(C1)N(C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(C)C

References

General References
Not Available
PubChem Compound
57345410
PubChem Substance
347829066
ChemSpider
29315022
BindingDB
50075098
ChEMBL
CHEMBL3414626
ZINC
ZINC000168212088
PDBe Ligand
EP6
PDB Entries
4hra

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAcute Leukemia / Acute Lymphocytic Leukemia (ALL) / Acute Myeloid Leukemia / Leukemias1
1CompletedTreatmentAcute Lymphoblastic Leukemia (ALL) / Acute Myeloid Leukemia / Myelodysplastic Syndrome / Myeloproliferative Disorders (MPD)1
1, 2CompletedTreatmentAcute Myeloid Leukemia With t(9;11)(p21.3;q23.3); MLLT3-MLL / Leukaemia cutis / Recurrent Acute Myeloid Leukemia / Refractory Acute Myeloid Leukemia (AML)1
1, 2TerminatedTreatmentAcute Myeloid Leukemia1

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 Solubility0.0181 mg/mLALOGPS
logP3.67ALOGPS
logP3.31Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)12.26Chemaxon
pKa (Strongest Basic)9.05Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area151.23 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity156.75 m3·mol-1Chemaxon
Polarizability63.34 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-08fr-0060090000-5f0061ead86a1126b4f9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0000090000-d565e823f20de11cd859
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0461190000-8b49d5a20a3dc93c92e7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-1906160000-2cf6390fd721c2e43081
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03l9-1592030000-54fa7587550aa9917e7d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0911010000-48030536f1a859e1c893
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-220.78532
predicted
DeepCCS 1.0 (2019)
[M+H]+222.61021
predicted
DeepCCS 1.0 (2019)
[M+Na]+228.571
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:17 / Updated at September 24, 2023 02:55