Nimustine hydro-chloride

The first crystal structure determination of a 2-chloroethyl-N-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR

Sándor L. Bekö, David Urmann, A. Lakatos, Clemens Glaubitz, Martin U. Schmidt

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

Nimustine hydro-chloride [systematic name: 4-amino-5-({[N-(2-chloro-ethyl)- N-nitroso-carbamoyl]-amino}-methyl)-2-methyl-pyrimidin-1-ium chloride], C 9H 14ClN 6O 2 +· Cl -, is a prodrug of CENU (chloro-ethyl-nitroso-urea) and is used as a cytostatic agent in cancer therapy. Its crystal structure was determined from laboratory X-ray powder diffraction data. The proton-ation at an N atom of the pyrimidine ring was established by solid-state NMR spectroscopy.

Original languageEnglish
JournalActa Crystallographica Section C: Crystal Structure Communications
Volume68
Issue number3
DOIs
Publication statusPublished - Mar 2012

Fingerprint

Nimustine
Powder Diffraction
X-Ray Diffraction
X ray powder diffraction
Chlorides
Crystal structure
Nuclear magnetic resonance
Derivatives
Prodrugs
Cytostatic Agents
Nuclear magnetic resonance spectroscopy
Names
Urea
Protons
Magnetic Resonance Spectroscopy
Atoms
Neoplasms
2-chloroethyl-N-nitrosourea hydrochloride
Therapeutics

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)
  • Medicine(all)

Cite this

@article{916d9abe80fe435696bde378d5e28a9d,
title = "Nimustine hydro-chloride: The first crystal structure determination of a 2-chloroethyl-N-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR",
abstract = "Nimustine hydro-chloride [systematic name: 4-amino-5-({[N-(2-chloro-ethyl)- N-nitroso-carbamoyl]-amino}-methyl)-2-methyl-pyrimidin-1-ium chloride], C 9H 14ClN 6O 2 +· Cl -, is a prodrug of CENU (chloro-ethyl-nitroso-urea) and is used as a cytostatic agent in cancer therapy. Its crystal structure was determined from laboratory X-ray powder diffraction data. The proton-ation at an N atom of the pyrimidine ring was established by solid-state NMR spectroscopy.",
author = "Bek{\"o}, {S{\'a}ndor L.} and David Urmann and A. Lakatos and Clemens Glaubitz and Schmidt, {Martin U.}",
year = "2012",
month = "3",
doi = "10.1107/S0108270112005252",
language = "English",
volume = "68",
journal = "Acta Crystallographica Section C: Crystal Structure Communications",
issn = "0108-2701",
publisher = "International Union of Crystallography",
number = "3",

}

TY - JOUR

T1 - Nimustine hydro-chloride

T2 - The first crystal structure determination of a 2-chloroethyl-N-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR

AU - Bekö, Sándor L.

AU - Urmann, David

AU - Lakatos, A.

AU - Glaubitz, Clemens

AU - Schmidt, Martin U.

PY - 2012/3

Y1 - 2012/3

N2 - Nimustine hydro-chloride [systematic name: 4-amino-5-({[N-(2-chloro-ethyl)- N-nitroso-carbamoyl]-amino}-methyl)-2-methyl-pyrimidin-1-ium chloride], C 9H 14ClN 6O 2 +· Cl -, is a prodrug of CENU (chloro-ethyl-nitroso-urea) and is used as a cytostatic agent in cancer therapy. Its crystal structure was determined from laboratory X-ray powder diffraction data. The proton-ation at an N atom of the pyrimidine ring was established by solid-state NMR spectroscopy.

AB - Nimustine hydro-chloride [systematic name: 4-amino-5-({[N-(2-chloro-ethyl)- N-nitroso-carbamoyl]-amino}-methyl)-2-methyl-pyrimidin-1-ium chloride], C 9H 14ClN 6O 2 +· Cl -, is a prodrug of CENU (chloro-ethyl-nitroso-urea) and is used as a cytostatic agent in cancer therapy. Its crystal structure was determined from laboratory X-ray powder diffraction data. The proton-ation at an N atom of the pyrimidine ring was established by solid-state NMR spectroscopy.

UR - http://www.scopus.com/inward/record.url?scp=84858114953&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84858114953&partnerID=8YFLogxK

U2 - 10.1107/S0108270112005252

DO - 10.1107/S0108270112005252

M3 - Article

VL - 68

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

SN - 0108-2701

IS - 3

ER -