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127792-84-1 | Methanesulfonic acid, 2-(2-chloroethyl)-2-(methylsulfonyl)hydrazide
CAS No: 127792-84-1 Catalog No: AG000XF1 MDL No:
Product Description
Catalog Number:
AG000XF1
Chemical Name:
Methanesulfonic acid, 2-(2-chloroethyl)-2-(methylsulfonyl)hydrazide
CAS Number:
127792-84-1
Molecular Formula:
C4H11ClN2O4S2
Molecular Weight:
250.7241
IUPAC Name:
N'-(2-chloroethyl)-N'-methylsulfonylmethanesulfonohydrazide
InChI:
InChI=1S/C4H11ClN2O4S2/c1-12(8,9)6-7(4-3-5)13(2,10)11/h6H,3-4H2,1-2H3
InChI Key:
QVKFHBWVOPWLGX-UHFFFAOYSA-N
SMILES:
ClCCN(S(=O)(=O)C)NS(=O)(=O)C
UNII:
6ZE344986H
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.712g/mol
Monoisotopic Mass:
249.985g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Influence of glutathione and glutathione S-transferases on DNA interstrand cross-link formation by 1,2-bis(methylsulfonyl)-1-(2-chloroethyl)hydrazine, the active anticancer moiety generated by laromustine. | Chemical research in toxicology 20140818 |
| Reductive activation of the prodrug 1,2-bis(methylsulfonyl)-1-(2-chloroethyl)-2-[[1-(4-nitrophenyl)ethoxy]carbonyl]hydrazine (KS119) selectively occurs in oxygen-deficient cells and overcomes O(6)-alkylguanine-DNA alkyltransferase mediated KS119 tumor cell resistance. | Biochemical pharmacology 20100601 |
| Lethality to leukemia cell lines of DNA interstrand cross-links generated by Cloretazine derived alkylating species. | Leukemia research 20081001 |
| Nitric oxide donors attenuate clongenic potential in rat C6 glioma cells treated with alkylating chemotherapeutic agents. | Neuroscience letters 20070511 |
| Mode of action of the chloroethylating and carbamoylating moieties of the prodrug cloretazine. | Molecular cancer therapeutics 20060401 |
| Role of O6-alkylguanine-DNA alkyltransferase in the cytotoxic activity of cloretazine. | Molecular cancer therapeutics 20051101 |
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