Details
Stereochemistry | ACHIRAL |
Molecular Formula | C14H15NO5S |
Molecular Weight | 309.338 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NS(=O)(=O)OC1=CC=C2C(OC(=O)C3=C2CCCCC3)=C1
InChI
InChIKey=DSLPMJSGSBLWRE-UHFFFAOYSA-N
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)
Irosustat is a first-generation, orally active, irreversible steroid sulfatase inhibitor. It did not stimulate the growth of estrogen-sensitive MCF-7 breast cells in vitro. Irosustat was in phase II clinical trials for the treatment of breast cancer and endometrial cancer and phase I clinical trial for the treatment of prostate cancer. However, this research has been discontinued.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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Target ID: CHEMBL3531 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10910045 |
8.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
Cmax
Value | Dose | Co-administered | Analyte | Population |
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10.44 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/23797179 |
5 mg 1 times / day steady-state, oral dose: 5 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
IROSUSTAT plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE food status: UNKNOWN |
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159.4 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/23797179 |
80 mg 1 times / day steady-state, oral dose: 80 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
IROSUSTAT plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE food status: UNKNOWN |
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1.94 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/23797179 |
1 mg 1 times / day steady-state, oral dose: 1 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
IROSUSTAT plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE food status: UNKNOWN |
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33.31 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/23797179 |
20 mg 1 times / day steady-state, oral dose: 20 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
IROSUSTAT plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE food status: UNKNOWN |
|
72.3 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/23797179 |
40 mg 1 times / day steady-state, oral dose: 40 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
IROSUSTAT plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE food status: UNKNOWN |
AUC
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
121 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/23797179 |
5 mg 1 times / day steady-state, oral dose: 5 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
IROSUSTAT plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE food status: UNKNOWN |
|
1229 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/23797179 |
80 mg 1 times / day steady-state, oral dose: 80 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
IROSUSTAT plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE food status: UNKNOWN |
|
26.86 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/23797179 |
1 mg 1 times / day steady-state, oral dose: 1 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
IROSUSTAT plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE food status: UNKNOWN |
|
432.2 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/23797179 |
20 mg 1 times / day steady-state, oral dose: 20 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
IROSUSTAT plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE food status: UNKNOWN |
|
681.2 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/23797179 |
40 mg 1 times / day steady-state, oral dose: 40 mg route of administration: Oral experiment type: STEADY-STATE co-administered: |
IROSUSTAT plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE food status: UNKNOWN |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27870712
40 mg per day
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/11165021
The ER+ MCF-7 breast cancer cell line was used to test in vitro whether the Irosustat possessed any estrogenic properties. Irosustat over the range from 10(−11) to 10(−5) M had no significant effect on the proliferation of MCF-7 cells.
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C471
Created by
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NCI_THESAURUS |
C1742
Created by
admin on Fri Dec 15 17:41:29 GMT 2023 , Edited by admin on Fri Dec 15 17:41:29 GMT 2023
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CHEMBL286738
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WW-92
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Irosustat
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C79827
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9281
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100000175158
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DB02292
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366037O6O7
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DTXSID50183059
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288628-05-7
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5287541
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ACTIVE MOIETY
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