NAV

JNJ-27548547

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

Identification

Generic Name
JNJ-27548547
DrugBank Accession Number
DB15372
Background

JNJ-27548547 is under investigation in clinical trial NCT01705002 (Intravenously Administered Pegylated Liposomal Mitomycin-C Lipid-based Prodrug (PROMITIL) in Cancer Patients With Solid Tumors.).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1139.6
Monoisotopic: 1138.66735234
Chemical Formula
C62H98N4O11S2
Synonyms
  • PROMITIL
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Pharmacology

Indication

Not Available

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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as mitomycins. These are polycyclic compounds with a structure based on an aziridine ring linked to a 7-amino-6-methyl-cyclohexa[b]pyrrolizine-5,8-dione.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Indolequinones
Direct Parent
Mitomycins
Alternative Parents
Benzyloxycarbonyls / Piperazine carboxylic acids / Indoles / Quinones / Pyrrolizines / Fatty acid esters / Aziridinecarboxylic acids / Dicarboxylic acids and derivatives / Vinylogous amides / Carbamate esters
show 10 more
Substituents
1,4-diazinane / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Aziridine / Aziridinecarboxylic acid / Benzenoid / Benzyloxycarbonyl / Carbamic acid ester
show 29 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3I8JKL1CHB
CAS number
303983-00-8
InChI Key
LIHIIWJRSSLKKX-YCTALCSSSA-N
InChI
InChI=1S/C62H98N4O11S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-52(67)74-43-48(77-53(68)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)45-78-79-49-39-37-47(38-40-49)42-76-61(72)66-51-41-65-56-54(58(70)55(63)46(3)57(56)69)50(44-75-60(64)71)62(65,73-4)59(51)66/h37-40,48,50-51,59H,5-36,41-45,63H2,1-4H3,(H2,64,71)/t48?,50-,51+,59+,62-,66?/m1/s1
IUPAC Name
(4-{[2,3-bis(octadecanoyloxy)propyl]disulfanyl}phenyl)methyl (4S,6S,7R,8S)-11-amino-8-[(carbamoyloxy)methyl]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-diene-5-carboxylate
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CSSC1=CC=C(COC(=O)N2[C@H]3CN4C5=C([C@@H](COC(N)=O)[C@@]4(OC)[C@@H]23)C(=O)C(N)=C(C)C5=O)C=C1)OC(=O)CCCCCCCCCCCCCCCCC

References

General References
Not Available
ChemSpider
8117254

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentCancer / Metastatic Colorectal Cancer (CRC) / Solid Tumors1
1CompletedTreatmentCancer / Metastatic Disease / Solid Tumors1
1TerminatedTreatmentCancer / Gastro-Intestinal Intraepithelial Neoplasia1

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 Solubility2.56e-05 mg/mLALOGPS
logP8.86ALOGPS
logP15.94Chemaxon
logS-7.6ALOGPS
pKa (Strongest Acidic)14.79Chemaxon
pKa (Strongest Basic)-4.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area206.86 Å2Chemaxon
Rotatable Bond Count48Chemaxon
Refractivity315.74 m3·mol-1Chemaxon
Polarizability135.65 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
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/MSsplash10-005c-9200000004-f8dec587c3f093e9a801
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-08fu-4030500390-917dd2e7774fa2d77b96
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0j6r-3021600090-5901c7c537127685ce75
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-055g-9410000000-66e9e9e814d0a48dc977
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0as3-1191004030-8bfa42c94d577e363db1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0007-9210001000-1d8f7e2f0e760b174154
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:21 / Updated at June 12, 2020 16:53