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Hepsulfam

Hepsulfam structure

Hepsulfam 

structure
  • CAS No:

    96892-57-8

  • Formula:

    C7H18N2O6S2

  • Chemical Name:

    Hepsulfam

  • 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

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)

Hepsulfam Basic Attributes

290.36

290.36

971DU2GQ51

329680

DTXSID90242619

C1123

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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