Dinaciclib

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
Dinaciclib
Accession Number
DB12021
Type
Small Molecule
Groups
Investigational
Description

Dinaciclib has been used in trials studying the treatment of rrMM, rrCLL, rrDLBCL, Solid Tumors, and Solid Neoplasm, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
SCH 727965 / SCH-727965
Categories
UNII
4V8ECV0NBQ
CAS number
779353-01-4
Weight
Average: 396.495
Monoisotopic: 396.227374166
Chemical Formula
C21H28N6O2
InChI Key
PIMQWRZWLQKKBJ-SFHVURJKSA-N
InChI
InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
IUPAC Name
3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]pyridin-1-ium-1-olate
SMILES
CCC1=C2N=C(C=C(NCC3=CC=C[N+]([O-])=C3)N2N=C1)N1CCCC[C@H]1CCO

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
46926350
PubChem Substance
347828337
ChemSpider
25027387
BindingDB
50139171
ChEBI
95060
ChEMBL
CHEMBL2103840
Wikipedia
Dinaciclib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentEstrogen Receptor Negative / HER2/Neu Negative / Male Breast Carcinoma / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Stage IV Breast Cancer / Stage IV Breast Cancer AJCC v6 and v7 / Triple-Negative Breast Carcinoma1
1Active Not RecruitingTreatmentFollicular Lymphoma (FL) / Leukemia, Lymphocytic, Chronic, B-Cell / Lymphoma, Large B-Cell, Diffuse (DLBCL) / Multiple Myeloma (MM) / Non-Hodgkin's Lymphoma (NHL) / RrCLL / RrDLBCL / RrMM1
1CompletedTreatmentAdenocarcinoma of the Pancreas / Recurrent Pancreatic Carcinoma / Stage III Pancreatic Cancer / Stage III Pancreatic Cancer AJCC v6 and v7 / Stage IV Pancreatic Cancer / Stage IV Pancreatic Cancer AJCC v6 and v7 / Unresectable Pancreatic Carcinoma1
1CompletedTreatmentChronic Lymphocytic Leukaemia (CLL) / Small Lymphocytic Lymphoma (SLL)1
1CompletedTreatmentLeukemia, Lymphocytic, Chronic. B-Cell / Multiple Myeloma (MM) / Non-Hodgkin's Lymphoma (NHL) / Tumors, Solid1
1CompletedTreatmentMultiple Myeloma (MM) / Non-Hodgkin's Lymphoma (NHL) / Tumors, Solid1
1CompletedTreatmentRecurrent Plasma Cell Myeloma1
1RecruitingTreatmentAdvanced Malignant Neoplasm / Advanced Malignant Solid Neoplasm / BRCA1 Gene Mutation / Brca1 Mutation Carrier / Brca2 Gene Mutation / Brca2 Mutation Carrier / Solid Neoplasms1
1RecruitingTreatmentAdvanced or Metastatic Breast Cancer / Malignant Solid Tumours / Triple Negative Breast Cancer (TNBC) / Triple-Negative Breast Cancer (TNBC)1
1RecruitingTreatmentCancer - Acute Myeloid Leukemia / Cancer - Acute Myeloid Leukemia (AML) / Leukemia Acute Myeloid Leukemia (AML)1
1, 2CompletedTreatmentChronic Lymphocytic Leukaemia (CLL) / Chronic Lymphocytic Leukemia (CLL) - Refractory / Leukemia, Prolymphocytic / Recurrent Small Lymphocytic Lymphoma1
1, 2TerminatedTreatmentStage IIIB Melanoma / Stage IIIc Melanoma / Stage IV Melanoma1
2Active Not RecruitingTreatmentAcral Lentiginous Malignant Melanoma / Acral lentiginous melanoma / Lentigo Maligna Malignant Melanoma / Lentigo Maligna Melanoma / Mucosal Melanoma / Nodular Malignant Melanoma / Nodular melanoma / Recurrent Melanoma / Stage IV Cutaneous Melanoma AJCC v6 and v7 / Stage IV Melanoma / Stage IV Skin Melanoma / Superficial Spreading Malignant Melanoma / Superficial spreading melanoma stage unspecified1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Neoplasms, Breast1
2CompletedTreatmentRefractory Multiple Myeloma1
2TerminatedTreatmentAcute Lymphoblastic Leukaemias (ALL) / Leukemia Acute Myeloid Leukemia (AML)1
2TerminatedTreatmentLeukemia, Lymphocytic, Chronic, B-Cell / Mantle Cell Lymphoma (MCL)1
3CompletedTreatmentChronic Lymphocytic Leukaemia (CLL)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 Solubility0.0524 mg/mLALOGPS
logP2.4ALOGPS
logP1.4ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)15.92ChemAxon
pKa (Strongest Basic)4.63ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area92.63 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity126.34 m3·mol-1ChemAxon
Polarizability44.18 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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/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 pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrazolopyrimidines
Sub Class
Pyrazolo[1,5-a]pyrimidines
Direct Parent
Pyrazolo[1,5-a]pyrimidines
Alternative Parents
Dialkylarylamines / Secondary alkylarylamines / Aminopyrimidines and derivatives / Pyridinium derivatives / Piperidines / Imidolactams / Pyrazoles / Heteroaromatic compounds / Azacyclic compounds / Primary alcohols
show 3 more
Substituents
Pyrazolo[1,5-a]pyrimidine / Dialkylarylamine / Aminopyrimidine / Secondary aliphatic/aromatic amine / Piperidine / Pyridine / Pyridinium / Pyrimidine / Imidolactam / Azole
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:11 / Updated on June 04, 2019 07:30