This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- 2-chloroethyl-3-sarcosinamide-1-nitrosourea
- DrugBank Accession Number
- DB11688
- Background
2-chloroethyl-3-sarcosinamide-1-nitrosourea has been used in trials studying the treatment of Colorectal Cancer, Brain and Central Nervous System Tumors, and Unspecified Adult Solid Tumor, Protocol Specific.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for 2-chloroethyl-3-sarcosinamide-1-nitrosourea (DB11688)
- Weight
- Average: 222.63
Monoisotopic: 222.0519679 - Chemical Formula
- C6H11ClN4O3
- Synonyms
- SARCNU
- Sarmustine
- External IDs
- NSC-364432
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareDarbepoetin alfa The risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with 2-chloroethyl-3-sarcosinamide-1-nitrosourea. Erythropoietin The risk or severity of Thrombosis can be increased when Erythropoietin is combined with 2-chloroethyl-3-sarcosinamide-1-nitrosourea. Methoxy polyethylene glycol-epoetin beta The risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with 2-chloroethyl-3-sarcosinamide-1-nitrosourea. Peginesatide The risk or severity of Thrombosis can be increased when Peginesatide is combined with 2-chloroethyl-3-sarcosinamide-1-nitrosourea. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acids and derivatives
- Alternative Parents
- Nitrosoureas / Semicarbazides / Nitrosamides / Primary carboxylic acid amides / Organopnictogen compounds / Organochlorides / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Alkyl chlorides
- Substituents
- Aliphatic acyclic compound / Alkyl chloride / Alkyl halide / Alpha-amino acid or derivatives / Carbonic acid derivative / Carbonyl group / Carboxamide group / Hydrocarbon derivative / Nitrosamide / Nitrosourea
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- BHB013S3MO
- CAS number
- 81965-43-7
- InChI Key
- HYHJFNXFVPGMBI-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H11ClN4O3/c1-10(4-5(8)12)6(13)11(9-14)3-2-7/h2-4H2,1H3,(H2,8,12)
- IUPAC Name
- 2-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl](methyl)amino}acetamide
- SMILES
- CN(CC(N)=O)C(=O)N(CCCl)N=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 100773
- PubChem Substance
- 347828054
- ChemSpider
- 91053
- ChEMBL
- CHEMBL166937
- ZINC
- ZINC000003811824
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Brain and Central Nervous System Tumors 1 2 Completed Treatment Colorectal Cancer 1 1 Completed Treatment Unspecified Adult Solid Tumor, Protocol Specific 2
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 3.81 mg/mL ALOGPS logP -0.06 ALOGPS logP -0.75 ChemAxon logS -1.8 ALOGPS pKa (Strongest Acidic) 15.31 ChemAxon pKa (Strongest Basic) -4.5 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 96.07 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 50.44 m3·mol-1 ChemAxon Polarizability 19.64 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes 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 GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 20:40 / Updated at June 12, 2020 16:53