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Hepsulfam

CAT: 0931-T15472-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T15472-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96892-57-8
Target
Others, DNA Alkylator/Crosslinker
Related Pathways
Others, DNA Damage/DNA Repair
Bioactivity
Hepsulfam is an anticancer agent. It also displays excellent antileukemic activity (a median IC50: 0.91 μg/mL in a panel of different tumors) .
Smiles
NS(=O)(=O)OCCCCCCCOS(N)(=O)=O
Molecular Formula
C7H18N2O6S2
Molecular Weight
290.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hepsulfam

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)

CAS Number96892-57-8
PubChem CID100606
IUPAC Name7-sulfamoyloxyheptyl sulfamate
Molecular FormulaC7H18N2O6S2
Molecular Weight290.4
XLogP-0.3
Topological Polar Surface Area156
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count17
Formal Charge0
Complexity342
SMILES
C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N
InChI
InChI=1S/C7H18N2O6S2/c8-16(10,11)14-6-4-2-1-3-5-7-15-17(9,12)13/h1-7H2,(H2,8,10,11)(H2,9,12,13)
InChIKey
GOJJWDOZNKBUSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hepsulfam
CAS: 96892-57-8
CID: 100606
Formula: C7H18N2O6S2
MW: 290.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.4
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass290.06062865
Monoisotopic Mass290.06062865
Topological Polar Surface Area156 Ų
Heavy Atom Count17
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19203792-01Hepsulfam
HY-U00095R-01Hepsulfam (Standard)

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