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
Weight
Average: 222.63
Monoisotopic: 222.0519679
Chemical Formula
C6H11ClN4O3
Synonyms
  • SARCNU
  • Sarmustine
External IDs
  • NSC-364432

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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.
DrugInteraction
Darbepoetin alfaThe risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with 2-chloroethyl-3-sarcosinamide-1-nitrosourea.
ErythropoietinThe risk or severity of Thrombosis can be increased when Erythropoietin is combined with 2-chloroethyl-3-sarcosinamide-1-nitrosourea.
Methoxy polyethylene glycol-epoetin betaThe risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with 2-chloroethyl-3-sarcosinamide-1-nitrosourea.
PeginesatideThe risk or severity of Thrombosis can be increased when Peginesatide is combined with 2-chloroethyl-3-sarcosinamide-1-nitrosourea.
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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
PubChem Compound
100773
PubChem Substance
347828054
ChemSpider
91053
ChEMBL
CHEMBL166937
ZINC
ZINC000003811824

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBrain and Central Nervous System Tumors1
2CompletedTreatmentColorectal Cancer1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific2

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 Solubility3.81 mg/mLALOGPS
logP-0.06ALOGPS
logP-0.75ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)15.31ChemAxon
pKa (Strongest Basic)-4.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area96.07 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity50.44 m3·mol-1ChemAxon
Polarizability19.64 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

Drug created at October 20, 2016 20:40 / Updated at June 12, 2020 16:53