Structure of Iniparib
CAS No.: 160003-66-7
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
BSI-201 is a PARP1 inhibitor with demonstrated effectiveness in triple-negative breast cancer (TNBC).
Synonyms: BSI-201; IND-71677; SAR-240550
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CAS No. : | 160003-66-7 |
Formula : | C7H5IN2O3 |
M.W : | 292.03 |
SMILES Code : | IC1=C(C=C(C(=O)N)C=C1)[N+](=O)[O-] |
Synonyms : |
BSI-201; IND-71677; SAR-240550
|
MDL No. : | MFCD11110639 |
InChI Key : | MDOJTZQKHMAPBK-UHFFFAOYSA-N |
Pubchem ID : | 9796068 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-H319 |
Precautionary Statements: | P305+P351+P338 |
Target |
|
In Vitro:
Concentration | Treated Time | Description | References |
LCL35 cells | 100 μM | 2 hours | Evaluate the effect of Iniparib on the repair of radiation-induced single-strand breaks, showing that Iniparib inhibited SSB repair, but PARP1 knockdown reversed this inhibition | PMC3340099 |
Raji cells | 100 μM | 2 hours | Evaluate the effect of Iniparib on the repair of radiation-induced single-strand breaks, showing that Iniparib inhibited SSB repair | PMC3340099 |
HepG2 cells | 10, 20, 40, 60, 80 μM | 24, 48, 72, 96 h | BSI-201 inhibited the proliferation of HepG2 cells in a time- and concentration-dependent manner. | PMC5482153 |
HepG2 cells | 50, 100, 200, 400, 800 μM | 24, 48, 72, 96 h | AZD2281 inhibited the proliferation of HepG2 cells in a time- and concentration-dependent manner. | PMC5482153 |
HepG2 cells | 5, 10, 20, 40, 80 μM | 24, 48, 72, 96 h | AG014699 inhibited the proliferation of HepG2 cells in a time- and concentration-dependent manner. | PMC5482153 |
HCC-1428 | 2 µM | 4 days | Evaluate the effects of PARP inhibitors on BRCA mutant cell lines, BSI-201 did not induce cell death at 2 µM | PMC6904111 |
SUM-149PT | 2 µM | 4 days | Evaluate the effects of PARP inhibitors on BRCA mutant cell lines, BSI-201 did not induce cell death at 2 µM | PMC6904111 |
MDA-MB-436 | 2 µM | 4 days | Evaluate the effects of PARP inhibitors on BRCA mutant cell lines, BSI-201 did not induce cell death at 2 µM | PMC6904111 |
HCC-1937 | 2 µM | 4 days | Evaluate the effects of PARP inhibitors on BRCA mutant cell lines, BSI-201 did not induce cell death at 2 µM | PMC6904111 |
MDA-MB-231 | 50 μM | 48 hours | To evaluate the therapeutic effect of Iniparib on MDA-MB-231 cells, results showed sensitivity to iniparib plus cisplatin but resistance to iniparib alone, cisplatin, paclitaxel, and docetaxel. | PMC5560738 |
MDA-MB-468 | 50 μM | 48 hours | To evaluate the therapeutic effect of Iniparib on MDA-MB-468 cells, results showed resistance to iniparib plus cisplatin, iniparib alone, cisplatin, paclitaxel, and docetaxel. | PMC5560738 |
Human NDUFS1 mutant fibroblasts | 100nM | 48 hours | MRL-45696 increased NAD+ levels and oxygen consumption rate, improving mitochondrial function | PMC4047186 |
MCF-7 cells | 50 μM | 48 hrs | To evaluate the effect of ATM-depletion on MCF-7 cell sensitivity to iniparib, results showed G2/M phase accumulation. | PMC4176289 |
GM16667 human fibroblasts | 80 µM | 6 days | Evaluate the selective cytotoxicity of Iniparib in ATM-proficient cells, results showed Iniparib had low selectivity for GM16667 cells | PMC3306513 |
GM16666 human fibroblasts | 80 µM | 6 days | Evaluate the selective cytotoxicity of Iniparib in ATM-deficient cells, results showed Iniparib had low selectivity for GM16666 cells | PMC3306513 |
PEO4 human ovarian cancer cells | 80 µM | 6 days | Evaluate the selective cytotoxicity of Iniparib in HR-proficient cells, results showed Iniparib had low selectivity for PEO4 cells | PMC3306513 |
PEO1 human ovarian cancer cells | 80 µM | 6 days | Evaluate the selective cytotoxicity of Iniparib in HR-deficient cells, results showed Iniparib had low selectivity for PEO1 cells | PMC3306513 |
Primary myotubes from obese patients | 10 nM | 72 hours | MRL-45696 increased NAD+ levels and oxygen consumption rate, improving mitochondrial function | PMC4047186 |
ZR-75-1 cells | 100 μM | 72 hrs | To evaluate the effect of ATM-depletion on ZR-75-1 cell sensitivity to iniparib, results showed no effect of ATM-depletion on sensitivity. | PMC4176289 |
SKOV3 human ovarian cancer cells | 10 µM | continuously | Evaluate the sensitization effect of Iniparib to topoisomerase I poisons, results showed Iniparib failed to sensitize SKOV3 cells to topotecan | PMC3306513 |
C2C12 myotubes | 1–10 nM | MRL-45696 reduced redox potential, increased mitochondrial membrane potential and oxygen consumption rate | PMC4047186 |
In Vivo:
Administration | Dosage | Frequency | Description | References |
Nude mice | SCC1 (head and neck cancer) or MDA-MB-231 (triple-negative breast cancer) xenografts | Intraperitoneal injection | 50 mg/kg | Single dose | To evaluate the effect of iniparib on PARP activity. Results showed that iniparib had no significant effect on PARP activity and had a less marked effect on reducing 18F-FTT uptake compared to olaparib. | PMC5283874 |
Mice | High-fat diet-induced obesity model | Dietary admixture | 50 mg/kg/day | Once daily for 18 weeks | MRL-45696 reduced high-fat diet-induced weight gain and fat accumulation, increased energy expenditure, and improved mitochondrial function | PMC4047186 |
Clinical Trial:
NCT Number | Conditions | Phases | Recruitment | Completion Date | Locations |
NCT01593228 | Solid Tumors | Phase 3 | Completed | - | - |
NCT01455532 | Neoplasm Malignant | Phase 1 | Completed | - | United States, Arizona ... More >> Investigational Site Number 840002 Scottsdale, Arizona, United States, 85258 United States, California Investigational Site Number 840004 Los Angeles, California, United States, 90048 United States, Georgia Investigational Site Number 840010 Augusta, Georgia, United States, 30912 United States, Missouri Investigational Site Number 840007 St Louis, Missouri, United States, 63110 United States, Ohio Investigational Site Number 840001 Cincinnati, Ohio, United States, 45267-0542 United States, Texas Investigational Site Number 840006 San Antonio, Texas, United States, 78229 Less << |
NCT00813956 | Triple Negative Breast Cancer | Phase 2 | Completed | - | United States, California ... More >> Stanford Comprehensive Cancer Center Stanford, California, United States, 94305 United States, Pennsylvania PrECOG Philadelphia, Pennsylvania, United States, 19103 Less << |
NCT01204125 | Breast Cancer Female | Phase 2 | Completed | - | France ... More >> Investigational Site Number 250001 Besancon Cedex, France, 25030 Investigational Site Number 250004 Bordeaux, France, 33076 Investigational Site Number 250006 Bron Cedex, France, 69677 Investigational Site Number 250003 Paris Cedex 10, France, 75475 Investigational Site Number 250002 Toulouse, France, 31052 Investigational Site Number 250005 Villejuif, France, 94805 Germany Investigational Site Number 276003 Erlangen, Germany, 91054 Investigational Site Number 276004 Hamburg, Germany, 20357 Investigational Site Number 276002 Köln, Germany, 50931 Investigational Site Number 276001 Mönchengladbach, Germany, 41061 Spain Investigational Site Number 724001 Barcelona, Spain, 08035 Investigational Site Number 724009 Cáceres, Spain, 10003 Investigational Site Number 724013 Córdoba, Spain, 14004 Investigational Site Number 724006 Islas Baleares, Spain, 07014 Investigational Site Number 724012 Jaén, Spain, 23007 Investigational Site Number 724002 Lérida, Spain, 25198 Investigational Site Number 724005 Madrid, Spain, 28033 Investigational Site Number 724016 Madrid, Spain, 28041 Investigational Site Number 724007 Reus, Spain, 43201 Investigational Site Number 724018 Santiago De Compostela, Spain, 15706 Investigational Site Number 724017 Sevilla, Spain, 41009 Investigational Site Number 724010 Sevilla, Spain, 41013 Investigational Site Number 724003 Torrevieja, Spain, 03186 Investigational Site Number 724011 Valencia, Spain, 46009 Investigational Site Number 724015 Valencia, Spain, 46010 Less << |
NCT01173497 | Estrogen Receptor Negative (ER... More >>-Negative) Breast Cancer Progesterone Receptor Negative (PR-Negative) Breast Cancer Human Epidermal Growth Factor Receptor 2 Negative (HER2-Negative) Breast Cancer Brain Metastases Less << | Phase 2 | Completed | - | United States, Alabama ... More >> University of Alabama At Birmingham Birmingham, Alabama, United States United States, California University of California At San Francisco San Francisco, California, United States United States, District of Columbia Georgetown University Washington, District of Columbia, United States United States, Illinois University of Chicago Chicago, Illinois, United States United States, Indiana Indiana University Simon Cancer Center Indianapolis, Indiana, United States United States, Maryland Johns Hopkins University Baltimore, Maryland, United States United States, Massachusetts Dana Farber Cancer Institute Boston, Massachusetts, United States United States, Michigan University of Michigan Ann Arbor, Michigan, United States United States, North Carolina University of North Carolina-CH Lineberger Comprehensive Cancer Center Chapel Hill, North Carolina, United States, 27599-7295 Duke University Durham, North Carolina, United States United States, Pennsylvania University of Pittsburgh Medical Center Pittsburgh, Pennsylvania, United States United States, Tennessee Vanderbilt University Nashville, Tennessee, United States United States, Texas MD Anderson Cancer Center Houston, Texas, United States Less << |
NCT01213381 | Advance Solid Tumors | Phase 1 | Completed | - | Japan ... More >> Sanofi-Aventis Investigational Site Number 392001 Kobe-Shi, Japan Sanofi-Aventis Investigational Site Number 392002 Matsuyama-Shi, Japan Less << |
NCT00422682 | Tumors | Phase 1 | Completed | - | United States, Connecticut ... More >> Research Site New Haven, Connecticut, United States United States, Michigan Research Site Detroit, Michigan, United States United States, New York Research Site New York City, New York, United States United States, Pennsylvania Research Site Philadelphia, Pennsylvania, United States United States, Texas Research Site Houston, Texas, United States Research Site San Antonio, Texas, United States Less << |
NCT01130259 | - | - | - | - | |
NCT01086254 | Non-small Cell Lung Cancer Sta... More >>ge IV Less << | Phase 2 | Completed | - | France ... More >> Sanofi-Aventis Investigational Site Number 250002 Caen Cedex, France, 14033 Sanofi-Aventis Investigational Site Number 250003 Marseille Cedex 09, France, 13009 Sanofi-Aventis Investigational Site Number 250004 Toulouse, France, 31059 Sanofi-Aventis Investigational Site Number 250001 Villejuif, France, 94805 Germany Sanofi-Aventis Investigational Site Number 276003 Essen, Germany, 45122 Sanofi-Aventis Investigational Site Number 276002 Gauting, Germany, 82131 Sanofi-Aventis Investigational Site Number 276001 Großhansdorf, Germany, 22927 Italy Sanofi-Aventis Investigational Site Number 380003 Livorno, Italy, 57123 Sanofi-Aventis Investigational Site Number 380001 Orbassano, Italy, 10043 Sanofi-Aventis Investigational Site Number 380002 Rozzano, Italy, 20089 Spain Sanofi-Aventis Investigational Site Number 724001 Badalona, Spain, 08916 Sanofi-Aventis Investigational Site Number 724002 Barcelona, Spain, 08035 United Kingdom Sanofi-Aventis Investigational Site Number 826001 Newcastle Upon Tyne, United Kingdom, NE7 7DN Sanofi-Aventis Investigational Site Number 826002 Wolverhampton, United Kingdom, WV10 0QP Less << |
NCT00540358 | Breast Cancer | Phase 2 | Completed | - | United States, Alabama ... More >> Research Site Birmingham, Alabama, United States United States, Colorado Research Site Denver, Colorado, United States United States, Connecticut Research Site Torrington, Connecticut, United States United States, Florida Research Site Ocoee, Florida, United States United States, Indiana Research Site Indianapolis, Indiana, United States United States, Kansas Research Site Overland Park, Kansas, United States United States, Nevada Research Site Henderson, Nevada, United States United States, New Hampshire Research Site Hooksett, New Hampshire, United States United States, North Carolina Research Site Raleigh, North Carolina, United States United States, Texas Research Site Bedford, Texas, United States Research Site Dallas, Texas, United States Research Site El Paso, Texas, United States Research Site Fort Worth, Texas, United States Research Site Houston, Texas, United States Research Site Tyler, Texas, United States United States, Virginia Research Site Fairfax, Virginia, United States United States, Washington Research Site Vancouver, Washington, United States Research Site Yakima, Washington, United States Less << |
NCT00938652 | Breast Cancer | Phase 3 | Completed | - | - |
NCT00298675 | Tumors | Phase 1 | Completed | - | United States, Connecticut ... More >> Research Site New Haven, Connecticut, United States United States, Texas Research Site Houston, Texas, United States Research Site San Antonio, Texas, United States Less << |
NCT01045304 | Breast Cancer, Metastatic | Phase 2 | Completed | - | Australia ... More >> Sanofi-Aventis Investigational Site Number 036002 Parkville, Australia, 3052 Sanofi-Aventis Investigational Site Number 036001 Perth, Australia, 6000 Sanofi-Aventis Investigational Site Number 036003 Westmead, Australia, 2145 Belgium Sanofi-Aventis Investigational Site Number 056001 Bruxelles, Belgium, 1000 Sanofi-Aventis Investigational Site Number 056002 Leuven, Belgium, 3000 France Sanofi-Aventis Investigational Site Number 250005 Besancon Cedex, France, 25030 Sanofi-Aventis Investigational Site Number 250003 Bordeaux, France, 33076 Sanofi-Aventis Investigational Site Number 250002 Dijon, France, 21034 Sanofi-Aventis Investigational Site Number 250006 Paris Cedex 05, France, 75231 Sanofi-Aventis Investigational Site Number 250004 Paris, France, 75970 Sanofi-Aventis Investigational Site Number 250001 Toulouse, France, 31052 Italy Sanofi-Aventis Investigational Site Number 380004 Genova, Italy, 16132 Sanofi-Aventis Investigational Site Number 380001 Milano, Italy, 20133 Sanofi-Aventis Investigational Site Number 380002 Modena, Italy, 41100 Sanofi-Aventis Investigational Site Number 380003 Udine, Italy, 33100 Netherlands Sanofi-Aventis Investigational Site Number 528001 Rotterdam, Netherlands, 3075 EA Spain Sanofi-Aventis Investigational Site Number 724002 Barcelona, Spain, 08035 Sanofi-Aventis Investigational Site Number 724004 Madrid, Spain, 28050 Sanofi-Aventis Investigational Site Number 724001 Málaga, Spain, 29010 Sanofi-Aventis Investigational Site Number 724003 Valencia, Spain, 46010 Less << |
NCT01082549 | Squamous Cell Lung Cancer | Phase 3 | Completed | - | - |
NCT00677079 | Primary Peritoneal Cancer|Adva... More >>nced Epithelial Ovarian Cancer Less << | PHASE2 | COMPLETED | 2025-12-08 | New York, New York, 10021, Uni... More >>ted States Less << |
NCT00687765 | Glioblastoma | Phase 1 Phase 2 | Completed | - | United States, Alabama ... More >> Research Site Birmingham, Alabama, United States, 35294 United States, Florida Research Site Tampa, Florida, United States, 33612 United States, Georgia Research Site Atlanta, Georgia, United States, 30322 United States, Maryland Research Site Baltimore, Maryland, United States United States, Massachusetts Research Site Boston, Massachusetts, United States, 92114 United States, Michigan Research Site Detroit, Michigan, United States, 48202 United States, North Carolina Research Site Winston Salem, North Carolina, United States, 27157 United States, Pennsylvania Research Site Philadelphia, Pennsylvania, United States, 19104 Less << |
NCT01161836 | Advanced Solid Tumors | PHASE1 | COMPLETED | 2025-06-11 | Northwest Medical Specialties,... More >> Tacoma, Washington, 98405, United States Less << |
NCT01033123 | Ovarian Cancer | PHASE2 | COMPLETED | 2025-02-12 | Massachusetts Ceneral Hospital... More >>, Boston, Massachusetts, 02114, United States Less << |
NCT01551680 | Brain Metastases | Phase 1 | Terminated(end of study of thi... More >>s product) Less << | - | France ... More >> CRLC Val d'Aurelle-Paul Lamarque Montpellier, France, 34298 AP-HP Hôpital Saint-Louis Paris, France Institut Gustave-Roussy Villejuif, France Less << |
NCT01033292 | Ovarian Cancer | PHASE2 | COMPLETED | 2025-12-12 | Massachusetts Ceneral Hospital... More >>, Boston, Massachusetts, 02114, United States Less << |
NCT00687687 | Uterine Carcinosarcoma | Phase 2 | Completed | - | - |
Bio Calculators | ||||
Preparing Stock Solutions | ![]() |
1mg | 5mg | 10mg |
1 mM 5 mM 10 mM |
3.42mL 0.68mL 0.34mL |
17.12mL 3.42mL 1.71mL |
34.24mL 6.85mL 3.42mL |