Hepsulfam
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Hepsulfam
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CAS No:
96892-57-8
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Formula:
C7H18N2O6S2
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Chemical Name:
Hepsulfam
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Synonyms:
Sulfamic acid,S,S′-1,7-heptanediyl ester;Sulfamic acid,1,7-heptanediyl ester;1,7-Heptanediyl sulfamate;NSC 329680;1,7-Heptanediol disulfamate;Hepsulfam;NCI 329680;ZINC 01574758
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CAS No:
Description
Hepsulfam is a bisulfamic ester which is similar in structure to busulfan and belongs to the family of drugs known as alkylsulfonate alkylating agents. Hepsulfam forms covalent linkages with nucleophilic centers in DNA, resulting in depurination, base miscoding, strand scission, DNA-DNA and DNA-protein cross-linking, and cytotoxicity. (NCI04)
Characteristics
155.54000
2.93930
1.407±0.06 g/cm3
94-95 °C
478.2±55.0 °C(Predicted)
243ºC
1.521
Water 3.6 - 2.7 (mg/mL)|Buffer, pH 4 5.0 - 3.3 (mg/mL)|Buffer, pH 9 5.6 - 3.7 (mg/mL)|Ethanol > 10.6 (mg/mL)|Dimethylacetamide > 10.0 (mg/mL)|DMSO > 11.2 (mg/mL)|Chloroform < 0.7 (mg/mL)|Ethyl acetate > 9.9 (mg/mL)|t-Butanol > 10.0 (mg/mL)
9.10±0.70
Safety Information
Bulk: Test samples exposed to room temperature (25 °C) for three months shows very little degradation. Test samples stored at 50 °C in the dark showed significantly greater loss (g. 10 %). Solution: A test sample of 25 mg/mL in 30% DMSO /water showed no significant degradation when stored for 48 hr.
Drug Information
Highly reactive chemicals that introduce alkyl radicals into biologically active molecules and thereby prevent their proper functioning. Many are used as antineoplastic agents, but most are very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. They have also been used as components in poison gases. (See all compounds classified as Alkylating Agents.)
1,7-heptanediol disulfamate
Computed Properties
Molecular Weight:290.4
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:290.06062865
Monoisotopic Mass:290.06062865
Topological Polar Surface Area:156
Heavy Atom Count:17
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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