Aspacytarabine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Aspacytarabine
- DrugBank Accession Number
- DB17226
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 358.307
Monoisotopic: 358.112463556 - Chemical Formula
- C13H18N4O8
- Synonyms
- Astarabine
- L-asparagine, n-(1-.beta.-d-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-
- N4-(1-.beta.-d-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin-4-yl)-l-asparagine
- External IDs
- BST-236
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- JL7V54Z2BR
- CAS number
- 2098942-53-9
- InChI Key
- PVPJTBAEAQVTPN-HRAQMCAYSA-N
- InChI
- InChI=1S/C13H18N4O8/c14-5(12(22)23)3-8(19)15-7-1-2-17(13(24)16-7)11-10(21)9(20)6(4-18)25-11/h1-2,5-6,9-11,18,20-21H,3-4,14H2,(H,22,23)(H,15,16,19,24)/t5-,6+,9+,10-,11+/m0/s1
- IUPAC Name
- (2S)-2-amino-3-({1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}carbamoyl)propanoic acid
- SMILES
- N[C@@H](CC(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 81368144
- ChEMBL
- CHEMBL4297599
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Acute Myeloid Leukemia / Myelodysplastic Syndrome 1 2 Active Not Recruiting Treatment Adult Acute Myeloid Leukemia / Myelodysplastic Syndrome / Refractory Acute Myeloid Leukemia (AML) / Relapse/Recurrence 1 2 Completed Treatment Acute Myeloid Leukemia 1 1, 2 Completed Treatment Acute Lymphoblastic Leukemia (ALL) / Acute Myeloid Leukemia 1 1, 2 Recruiting Treatment Adult Acute Myeloid Leukemia 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
Property Value Source Water Solubility 6.84 mg/mL ALOGPS logP -2.6 ALOGPS logP -6.1 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 1.71 Chemaxon pKa (Strongest Basic) 8.43 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 195.01 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 77.88 m3·mol-1 Chemaxon Polarizability 33.46 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 28, 2022 22:35 / Updated at December 01, 2022 11:36