Zoledronic Acid - Moligand™, ≥99% , Farnesyl diphosphate synthase inhibitor, CAS No.118072-93-8, Farnesyl diphosphate synthase inhibitor

CAS: 118072-93-8 Cat. No.: Z129382 Summenformel: C₅H₁₀N₂O₇P₂ Molekulargewicht: 272.09 EG-Nummer: 871-741-2 PubChem CID: 68740

GRADE & PURITY Moligand™, ≥99%

Synonyms

70HZ18PH24 | CAS-118072-93-8 | SR-05000001436 | (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid | D08689 | FT-0601384 | GTPL3177 | NCGC00159521-02 | s1314 | AB01273947-03 | 1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyldiphosphonic acid | AB01

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

70HZ18PH24 | CAS-118072-93-8 | SR-05000001436 | (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid | D08689 | FT-0601384 | GTPL3177 | NCGC00159521-02 | s1314 | AB01273947-03 | 1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyldiphosphonic acid | AB01

Spezifikationen & Reinheit

Moligand™, ≥99%

Biochemische und physiologische Mechanismen

Highly potent bisphosphonate. FPP synthase inhibitor. Inhibits osteoclastogenesis (IC 50 = 15 nM). Inhibits ASM and FDPS. Activates PKC. Inhibits osteoclastic bone resorption, shows antihypocalcemic and antiangiogenic effects in vivo.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Farnesyl diphosphate synthase inhibitor

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥99%

Produkteigenschaften

• ALogP: -4.3

Namen und Kennungen

• Pubchem Sid: 488184180
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184180
• Kanonisches Lächeln: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
• IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
• InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N
• INCHI: 1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
• Isomere SMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
• PubChem CID: 68740
• Molekulargewicht: 272.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: N-substituted imidazoles Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bisphosphonate - N-substituted imidazole - Heteroaromatic compound - Organophosphonic acid - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
• External Descriptors: imidazoles - 1,1-bis(phosphonic acid)

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

FDPS Tclin Farnesyl pyrophosphate synthase (29 Activities)

Discover Target: FDPS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase 2 (2 Activities)

Discover Target: CA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA12 Tclin Carbonic anhydrase 12 (2 Activities)

Discover Target: CA12

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA14 Tclin Carbonic anhydrase 14 (2 Activities)

Discover Target: CA14

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BTN3A1 Tchem Butyrophilin subfamily 3 member A1 (1 Activities)

Discover Target: BTN3A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO 0.004 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Molekulargewicht: 272.090 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 271.996 Da
• Monoisotopic Mass: 271.996 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 327.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Wanzhen Li, Yongqi Yang, Jun Wang, Ting Ge, Shuixia Wan, Lin Gui, Yugui Tao, Ping Song, Liangjun Yang, Fei Ge, Weiwei Zhang.  (2023)  Establishment of bone-targeted nano-platform and the study of its combination with 2-deoxy-d-glucose enhanced photodynamic therapy to inhibit bone metastasis.  Journal of the Mechanical Behavior of Biomedical Materials,      [PMID:38091923] [10.1016/j.jmbbm.2023.106306]

2. Yao Duan, Chanyuan Jin, Yuwei Wu, Yan Chen, Minjuan Zhang, Jun Qian, Ting Shuai, Jian Li, Huimin Chen, Dan Li.  (2023)  CREB1 alleviates the apoptosis and potentiates the osteogenic differentiation of zoledronic acid-treated human periodontal ligament stem cells via up-regulating VEGF.  TISSUE & CELL,      [PMID:37776785] [10.1016/j.tice.2023.102223]

3. Ting Ge, Zhang Weiwei, Fei Ge, Longbao Zhu, Ping Song, Wanzheng Li, Lin Gui, Wan Dong, Yugui Tao, Kai Yang.  (2022)  A bone-targeting drug delivery vehicle of a metal–organic framework conjugate with zoledronate combined with photothermal therapy for tumor inhibition in cancer bone metastasis.  Biomaterials Science,  10  (7): (1831-1843).  [PMID:35253030] [10.1039/D1BM01717A]

4. Xi Cui, Yizhu Shan, Jiaxuan Li, Meng Xiao, Yuan Xi, Jianying Ji, Engui Wang, Baokun Zhang, Lingling Xu, Mingzhu Zhang, Zhou Li, Yingzi Zhang.  (2024)  Bifunctional Piezo-Enhanced PLLA/ZA Coating Prevents Aseptic Loosening of Bone Implants.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202403759]

5. Wei Wang, Xing Zhang, Lichen Zhang, Ziang Li, Lingjun Wang, Xinzhao Jiang, Jie Wu, Liang Zhou, Qiangqiang Guo, Yiyang Huang, Wenbo Wang, Kun Xi, Gert Storm, Yong Gu, Liang Chen.  (2025)  An Immunomodulating Regenerating Hydrogel That Rescues the Oxidative Microenvironment and Reverses Cell Senescence for Osteoporotic Bone Defects.  ACS Nano,      [PMID:40754989] [10.1021/acsnano.5c06549]

6. Li Luyao, Wang Cheng, Chu Weicun, Park Jaewang, Dai Yiming, Ba Qiankai, Wang Kaifeng, Gao Jiaxing, Wei Zeliang, Zhao Xiaoming, Nie Xuchen, Yin Lixiong, Seok Sang Il, Nie Riming, Guo Wanlin.  (2025)  Fully chemical interface engineering for statically and dynamically stable perovskite solar cells.  Nature Communications,  16  (1): (1-11).  [PMID:41022772] [10.1038/s41467-025-63588-8]

7. Min Zhang, Dehui Fan, Wenchang Wu, Lixin Feng, Tong Sun, Hua Yang, Guoqiang Zhou, Jinchao Zhang, Yu Han, Kun Ge.  (2025)  Bone-targeting single-atom nanozymes for treating breast cancer bone metastasis via the synergistic effect of mild photothermal and chemodynamic therapy.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40946508] [10.1016/j.jcis.2025.139000]

8. Dehui Fan, Jing Li, Luwei Li, Ming An, Hua Yang, Guoqiang Zhou, Shutao Gao, Massimo Bottini, Jinchao Zhang, Kun Ge.  (2024)  Phosphate Ion-Responsive and Calcium Peroxide-Based Nanomedicine for Bone-Targeted Treatment of Breast Cancer Bone Metastasis.  Advanced Healthcare Materials,      [PMID:39109966] [10.1002/adhm.202402216]

9. Fuchao Chu, Zhenxin Wang, Dazhen Zhang, Wenkang Xu, Boyan Huang, Chen Long, Shuo Yang, Xinzhe Qu, Cunjiu Gao, Feng Yuan.  (2024)  Research on the osteogenic properties of 3D-printed porous titanium alloy scaffolds loaded with Gelma/PAAM-ZOL composite hydrogels.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39038567] [10.1016/j.ijbiomac.2024.134050]

10. Enyang Yao, Yang Li, Kai Deng, Wei He, Milad Ashrafizadeh, João Conde, Liyu Yang.  (2025)  Folic acid-targeted macrophage membrane-coated carbon quantum dot nanoplatform for dual drug and gene delivery in metastatic osteosarcoma therapy.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163227]

11. Fu Xiaoxue, Luo Zhenyu, Guo Yuqi, Meng Weikun, Jin Shue, Chen Junyu, Cai Yongrui, Luo Zeyu, Huang Chao, Chen Anjing, Guo Siqin, Chen Maojia, Zhou Zongke, Zeng Weinan.  (2025)  Microenvironment-responsive multifunctional enzyme-linked hydrogel for diabetic bone defect regeneration.  Nature Communications,  16  (1): (10275).  [PMID:41271711] [10.1038/s41467-025-65165-5]

12. Zheng Cuixia, Li Chenchen, Zhang Xuguang, Duan Changchun, Bai Haixin, Hong Chen, Wang Lei, Liu Yang.  (2026)  A Cascade Drug Delivery Nanosystem for Synergistic Tumor Suppression and Bone Resorption Inhibition in Breast Cancer Bone Metastasis.  ACS Applied Nano Materials,  9  (34): (16342-16355).  [PMID:] [10.1021/acsanm.6c02226]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 118072-93-8, the molecular formula is C5H10N2O7P2, and the molecular weight is 272.09 g/mol. InChIKey XRASPMIURGNCCH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.