Darinaparsin

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
Darinaparsin
Accession Number
DB06179
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
ZIO-101
Categories
UNII
9XX54M675G
CAS number
69819-86-9
Weight
Average: 411.3
Monoisotopic: 411.044527
Chemical Formula
C12H22AsN3O6S
InChI Key
JGDXFQORBMPJGR-YUMQZZPRSA-N
InChI
InChI=1S/C12H22AsN3O6S/c1-13(2)23-6-8(11(20)15-5-10(18)19)16-9(17)4-3-7(14)12(21)22/h7-8H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1
IUPAC Name
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(dimethylarsanyl)sulfanyl]ethyl]carbamoyl}butanoic acid
SMILES
C[As](C)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

Pharmacology

Indication

Investigated for use/treatment in blood (blood forming organ disorders, unspecified), cancer/tumors (unspecified), solid tumors, multiple myeloma, and liver cancer.

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
ChemSpider
9857733
ChEBI
94295
ChEMBL
CHEMBL3247378

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentChronic Lymphoproliferative Diseases / Chronic Myeloproliferative Disease / Leukemia, Acute / Malignant Lymphomas / Multiple Myeloma (MM) / Poor-risk Myelodysplasia (MDS)1
1CompletedTreatmentPeripheral T-Cell Lymphoma (PTCL)2
1CompletedTreatmentTumors, Solid2
1Unknown StatusTreatmentAdvanced Solid Tumors / Malignant Lymphomas1
1Unknown StatusTreatmentCancer, Advanced1
1WithdrawnTreatmentMalignant Lymphomas1
1, 2CompletedTreatmentMultiple Myeloma (MM)1
2CompletedTreatmentBone Marrow Neoplasms / Neoplasms, Hematologic / Non-Hodgkin's Lymphoma (NHL)1
2RecruitingTreatmentPeripheral T-Cell Lymphoma (PTCL)1
2Unknown StatusTreatmentHepatocellular,Carcinoma1
2Unknown StatusTreatmentMultiple Myeloma (MM)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.4 mg/mLALOGPS
logP-2.7ALOGPS
logP-4.4ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)1.5ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area158.82 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity79.89 m3·mol-1ChemAxon
Polarizability36.38 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Oligopeptides
Alternative Parents
Gamma-glutamyl peptides / Glutamine and derivatives / N-acyl-alpha amino acids / Alpha amino acid amides / Cysteine and derivatives / L-alpha-amino acids / Dicarboxylic acids and derivatives / Fatty acids and conjugates / N-acyl amines / Trivalent organic arsenic compounds
show 12 more
Substituents
Alpha-oligopeptide / Gamma-glutamyl alpha peptide / Glutamine or derivatives / N-acyl-alpha-amino acid / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / Cysteine or derivatives / Alpha-amino acid / N-substituted-alpha-amino acid / Alpha-amino acid or derivatives
show 32 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on March 19, 2008 10:16 / Updated on June 04, 2019 06:21