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文件

I5784

Sigma-Aldrich

Ibandronate 钠盐 一水合物

≥97% (NMR), solid

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别名:
(1-Hydroxy-3-(methylpentylamino)propylidene)bisphosphonic acid 钠 一水合物, Bondronat, Boniva
经验公式（希尔记法）:
C9H22NNaO7P2
CAS号:
138844-81-2
分子量:
341.21
MDL编号:
MFCD07197214
PubChem化学物质编号:
329815388
NACRES:
NA.77

质量水平

100

检测方案

≥97% (NMR)

形式

solid

储存条件

protect from light

颜色

white

溶解性

H2O: >10 mg/mL

创始人

Roche

储存温度

2-8°C

SMILES string

[Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O

InChI

1S/C9H23NO7P2.Na/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);/q;+1/p-1

InChI key

LXLBEOAZMZAZND-UHFFFAOYSA-M

Gene Information

human ... FDPS(2224)

应用

Ibandronate sodium salt has been used to study its effect on the proliferation and ultrastructure of Leishmania and Giardia by the generation of concentration curves. It has also been used to elucidate the route by which nitrogen-containing bisphosphonates (N-BPs) enter the cytosol and inhibit their molecular target.

生化/生理作用

Ibandronate is a nitrogen-containing bisphosphonate (N-BP). It potentially inhibits mevalonate pathway in osteoclasts. Thus, ibandronate is effectively used to treat osteoporosis and other bone-related diseases.
Ibandronate sodium inhibits farnesyl diphosphate synthase (IC50 = 20 nM). Ibandronate sodium is also a bone resorption inhibitor. It has been investigated for in vitro anti-tumor effects, such as apoptosis induction, inhibitor of cell growth, inhibition of invasive behavior, and inhibition of angiogenesis and for its in vivo role in various cancers including breast and prostate cancers.

特点和优势

This compound was developed by Roche. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

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Identification of a transporter complex responsible for the cytosolic entry of nitrogen-containing bisphosphonates
Yu Z, et al.
eLife, 7, e36620-e36620 (2018)
Ricardo Villa-Bellosta et al.
Arteriosclerosis, thrombosis, and vascular biology, 29(5), 761-766 (2009-02-14)
The role of inorganic phosphate in the pathogenesis of vascular calcification (VC) has been studied extensively in recent years. Phosphonoformic acid (PFA), an inhibitor of type II Pi transporters, has been traditionally used to study the involvement of Pi transport
Insights about the structure of farnesyl diphosphate synthase (FPPS) and the activity of bisphosphonates on the proliferation and ultrastructure of Leishmania and Giardia
Gadelha APR, et al.
Parasites & vectors, 13, 1-18 (2020)
Pratigyan Dash et al.
Macromolecular bioscience, 23(11), e2300211-e2300211 (2023-06-29)
Osteosarcoma (OS) is a malignant tumor, fatal for pediatric patients who do not respond to chemotherapy, alternative therapies and drugs can provide better outcomes. Zoledronic acid (Zol) belonging to the class of bisphosphonates (BPs) has a direct antitumor ability to prevent
Ana Paula R Gadelha et al.
Parasites & vectors, 13(1), 168-168 (2020-04-07)
The enzyme farnesyl diphosphate synthase (FPPS) is positioned in the intersection of different sterol biosynthesis pathways such as those producing isoprenoids, dolichols and ergosterol. FPPS is ubiquitous in eukaryotes and is inhibited by nitrogen-containing bisphosphonates (N-BP). N-BP activity and the
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