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Irosustat

CAT: 0013-GTR19170197-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170197-02Size:5 mg
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Description
Irosustat (667-Coumate) is a highly potent steroid sulfatase inhibitor, demonstrating an IC50 of 8 nM. It has shown promising anti-cancer activity in breast cancer research, with studies investigating its effects in both in vitro cellular models and in vivo xenograft experiments.
CAS Number
288628-05-7
Product Name Alternative
667-Coumate, BN 83495, BN83495, BN-83495, Inhibitor, Irosustat, inhibit, STX64, STX-64, STX 64, steroid sulfatase
Purity
98.76% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.47 mM) ; DMSO:55 mg/mL (177.8 mM)
Smiles
NS (=O) (=O) Oc1ccc2c3CCCCCc3c (=O) oc2c1
Molecular Formula
C14H15NO5S
Molecular Weight
309.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Irosustat

Irosustat has been investigated for the treatment of Metastatic Breast Cancer and Locally Advanced Breast Cancer.

CAS Number288628-05-7
PubChem CID5287541
IUPAC Name(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl) sulfamate
Molecular FormulaC14H15NO5S
Molecular Weight309.34
XLogP2.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity562
SMILES
C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)N
InChI
InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)
InChIKey
DSLPMJSGSBLWRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Irosustat
CAS: 288628-05-7
CID: 5287541
Formula: C14H15NO5S
MW: 309.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.34
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass309.06709375
Monoisotopic Mass309.06709375
Topological Polar Surface Area104 Ų
Heavy Atom Count21
Formal Charge0
Complexity562
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
BA8361-5.1Irosustat
A21287-5Irosustat 5mg
S6558-01Irosustat (BN83495)
A21287-10Irosustat 10mg
A21287-100Irosustat 100mg
A21287-50Irosustat 50mg
A21287-200Irosustat (BN83495) 200mg
A21287-25Irosustat (BN83495) 25mg
A21287-2Irosustat (BN83495) 2mg
A21287-10mM-DIrosustat (BN83495) 10mM * 1mL in DMSO

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