13909-02-9
Product Name:
1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea
Formula:
C8H11ClN4O4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | Water < 1 (mg/mL) |
|---|---|
| Stability/Shelf Life | Bulk: A sample stored at 60° C for 10 days decomposed 18% (UV). The compound was found to be stable in bulk form at room temperature exposed to lab light through 60 days (UV, TLC and ionic chloride). For long -term storage the bulk compound should be protected from moisture and stored at -15° C. Solution: The compound dissolved in 3% methanol/ water decomposed 4% in one hour, 6.5% in three hours 15% in six hours, and 38% in 24 hours (UV). There was no formation of ionic chloride during the 24 hours. Solutions should be prepared immediately before use. |
COMPUTED DESCRIPTORS
| Molecular Weight | 262.65 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 262.0468825 g/mol |
| Monoisotopic Mass | 262.0468825 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 348 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
PCNU is a chloroethylnitrosourea compound and an alkylating agent with antineoplastic property. PCNU inhibits DNA synthesis by alkylating DNA and causing DNA cross links, thereby inducing apoptosis. In addition, this agent may be associated with pulmonary, hepatic, and hematologic toxicities. Unlike other nitrosoureas, PCNU has strong alkylating while weak carbamoylating activity.