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

Identification
NameAZD-4877
Accession NumberDB11671
TypeSmall Molecule
GroupsInvestigational
Description

AZD4877 has been used in trials studying the treatment of NHL, Tumors, Cancer, Lymphoma, and Neoplasms, among others.

Structure
Thumb
SynonymsNot Available
External IDs Not Available
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII19ORU63E06
CAS number1176760-49-8
WeightAverage: 503.67
Monoisotopic: 503.235496497
Chemical FormulaC28H33N5O2S
InChI KeySMFXSYMLJDHGIE-UHFFFAOYSA-N
InChI
InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3
IUPAC Name
N-(3-aminopropyl)-N-(1-{5-benzyl-3-methyl-4-oxo-4H,5H-[1,2]thiazolo[5,4-d]pyrimidin-6-yl}-2-methylpropyl)-4-methylbenzamide
SMILES
CC(C)C(N(CCCN)C(=O)C1=CC=C(C)C=C1)C1=NC2=C(C(C)=NS2)C(=O)N1CC1=CC=CC=C1
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions Not Available
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentCancers / Carcinoma NOS / Tumors1
1CompletedTreatmentNeoplasms1
1TerminatedTreatmentAcute Myelogenous Leukaemia (AML)1
1TerminatedTreatmentMalignant Lymphomas1
1TerminatedTreatmentMalignant Lymphomas / NHL / Non-Hodgkin's Lymphoma (NHL)1
2CompletedTreatmentBladder Cancers / Renal Pelvis Cancer / Transitional Cell Bladder Cancer / Ureteral Cancer / Urethral Cancer1
Properties
StateNot Available
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.00292 mg/mLALOGPS
logP3.86ALOGPS
logP4.19ChemAxon
logS-5.2ALOGPS
pKa (Strongest Basic)9.77ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area91.89 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity146.31 m3·mol-1ChemAxon
Polarizability55.48 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as n,n-dialkyl-p-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassToluenes
Direct ParentN,N-dialkyl-p-toluamides
Alternative ParentsBenzamides / Benzoyl derivatives / Pyrimidones / Thiazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Lactams / Amino acids and derivatives / Azacyclic compounds / Organopnictogen compounds
SubstituentsN,n-dialkyl-p-toluamide / Benzamide / Benzoic acid or derivatives / Benzoyl / Pyrimidone / Pyrimidine / Azole / Heteroaromatic compound / Thiazole / Tertiary carboxylic acid amide
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 14:38 / Updated on September 01, 2017 12:11