| Stereochemistry | ACHIRAL |
| Molecular Formula | C9H23NO7P2 |
| Molecular Weight | 319.2289 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O
InChI
InChIKey=MPBVHIBUJCELCL-UHFFFAOYSA-N
InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)
| Molecular Formula | C9H23NO7P2 |
| Molecular Weight | 319.2289 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Ibandronic acid (INN) or ibandronate sodium (USAN) is a potent bisphosphonate drug developed by Hoffman La Roche and used in the prevention and treatment of osteoporosis and metastasis-associated skeletal fractures in people with cancer. Ibandronate is indicated for the treatment and prevention of osteoporosis in post-menopausal women. In May 2003, the U.S. Food and Drug Administration (FDA) approved Ibandronate as a daily treatment for post-menopausal osteoporosis. The basis for this approval was a three-year, randomized, double-blind, placebo-controlled trial women with post-menopausal osteoporosis. Every participant also received daily oral doses of calcium and 400IUs [international units] of vitamin D. At the study's conclusion, both doses significantly reduced the occurrence risk of new vertebral fractures by 50–52 percent when compared to the effects of the placebo drug. Ibandronate is efficacious for the prevention of metastasis-related bone fractures in multiple myeloma, breast cancer, and certain other cancers. In 2008, the U.S Food and Drug Administration (FDA) issued a communication warning of the possibility of severe and sometimes incapacitating bone, joint and/or muscle pain.[4] A study conducted by the American Society of Bone and Mineral Research concluded that long-term use of bisphosphonates, including Boniva, may increase the risk of a rare but serious fracture of the femur. Ibandronic acid is marketed under the trade names Boniva in the USA, Bondronat in Europe, Bonviva in Asia, Ibandrix in Ecuador and Bondrova in Bangladesh.
Originator
Approval Year
Doses
AEs
Overview
| CYP3A4 | CYP2C9 | CYP2D6 | hERG |
|---|---|---|---|
OverviewOther
| Other Inhibitor | Other Substrate | Other Inducer |
|---|---|---|
Drug as perpetrator
Drug as victim
Tox targets
Sourcing
PubMed
Patents
Sample Use Guides
Oral: 150 mg orally once a month on the same day each month
IV Injection: 3 mg by IV injection over 15 to 30 seconds every three months.
Route of Administration:
Other
Cells were cultivated in cell culture flasks at 37_Cand5%CO2. The culture media were as recommended by the American Type Culture Collection (ATCC) for MDA-MB-231 breast cancer DMEM (Sigma-Aldrich, St. Louis, MO, USA), which contained 10% fetal calf serum (FCS); PC-3 prostate carcinoma DMEM-F12 (Sigma-Aldrich) with 10% FCS. MG-63 and U2-OS osteosarcoma were cultured in AlphaMEM (Biochrom, Berlin, Germany) medium containing 10% FBS. For the HMC1.1 cell line, we used Iscove’s Modified Dulbecco’s Medium (IMDM; Thermo Fisher Scientific, Waltham, MA) supplemented with 260 nM thioglycerol (Sigma-Aldrich) and20%fetal bovine serum (FBS). All culture media contained 10 mg/mL gentamycin (Sigma-Aldrich). To guarantee optimal growth, cells were split two times a week and reseeded at a density of 2-5 x 105 cells/mL. One day after splitting, 32 mMsimvastatin (Sigma-Aldrich) or 150 mM ibandronate (Sigma-Aldrich) were added to the culture medium for 72 hours. This is the dose that attenuated cell proliferation with a half maximal effect. NADP/NADPH analyses were performed directly in 96-well culture plates after 24 or 48 hours
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