Irosustat

Base Information

Chemical Name:Irosustat
CAS No.:288628-05-7
Molecular Formula:C₁₄H₁₅NO₅S
Molecular Weight:309.343
Hs Code.:
UNII:366037O6O7
DSSTox Substance ID:DTXSID50183059
Nikkaji Number:J1.381.538K,J3.064.704A
Wikipedia:Irosustat
Wikidata:Q27093313
NCI Thesaurus Code:C79827
Pharos Ligand ID:5KD9FJQBCBHF
Metabolomics Workbench ID:146885
ChEMBL ID:CHEMBL286738
Mol file:288628-05-7.mol

Synonyms:6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta-(c)(1)benzopyran-3-O-sulfamate;667 coumate;BN83495;irosustat;STX64 compound

Suppliers and Price of Irosustat

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
STX64
2.5mg
$ 275.00

Sigma-Aldrich
STX64 ≥98% (HPLC)
5mg
$ 177.00

Sigma-Aldrich
STX64 ≥98% (HPLC)
25mg
$ 694.00

DC Chemicals
Irosustat（STX64） >98%
250 mg
$ 900.00

CSNpharm
Irosustat
50mg
$ 502.00

CSNpharm
Irosustat
25mg
$ 298.00

Axon Medchem
STX64-BN83495|Irosustat|667Coumate 99%
5 mg
$ 99.00

Arctom
6-Oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-ylsulfamate ≥98%
100mg
$ 271.00

Arctom
6-Oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-ylsulfamate ≥98%
250mg
$ 404.00

Arctom
6-Oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-ylsulfamate ≥98%
1g
$ 1012.00

Total 17 raw suppliers

Chemical Property of Irosustat

Chemical Property:

Melting Point:170.1-173.4 °C
Boiling Point:544.1±60.0 °C(Predicted)
PKA:8.26±0.70(Predicted)
PSA：107.98000
Density:1.48±0.1 g/cm3(Predicted)
LogP:3.42530
Storage Temp.:2-8°C
Solubility.:DMSO: >20mg/mL
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:309.06709375
Heavy Atom Count:21
Complexity:562

Purity/Quality:

99%, ^*data from raw suppliers

STX64 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)N
Recent ClinicalTrials:BN83495 Phase I in Post-menopausal Women
Recent EU Clinical Trials:A Phase II study to assess the safety and efficacy of the steroid sulfatase inhibitor Irosustat when added to an aromatase inhibitor in ER positive locally advanced or metastatic breast cancer patients.
Uses STX64 is a potent, irreversible inhibitor of steroid sulfatase.

Technology Process of Irosustat

There total 1 articles about Irosustat which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: