disodium ethydronate - ≥98% , ATP inhibitor, CAS No.7414-83-7, ATP inhibitor

CAS: 7414-83-7 Cat. No.: D135681 Molecular Weight: 249.99 EC Number: 231-025-7

GRADE & PURITY ≥98%

Synonyms

AC-2078 | Disodium 1-hydroxyethylidene phosphonate | KS-1297 | Disodium dihydrogen 1-hydroxyethane-1,1-diyldiphosphonate | Disodium etidronate | FT-0630369 | Etidronate disodium (JP17/USP) | EINECS 231-025-7 | Etidron | ETIDRONATE DISODIUM [USP MONOGRAPH]

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Etidronate Disodium is a bisphosphonate bone resorption inhibitor. Phosphonate ligands demonstrate a very high affinity for alkali metal ions and form crystals with some difficulty. Organophosphonate chelating compounds are able to prevent precipitation of calcium salts at stoichiometric concentrations which is applicable in corrosion inhibition, water treatment and scale inhibition. Etidronate Disodium is an inhibitor of FDPS.

Specifications

Synonyms

AC-2078 | Disodium 1-hydroxyethylidene phosphonate | KS-1297 | Disodium dihydrogen 1-hydroxyethane-1, 1-diyldiphosphonate | Disodium etidronate | FT-0630369 | Etidronate disodium (JP17/USP) | EINECS 231-025-7 | Etidron | ETIDRONATE DISODIUM [USP MONOGRAPH]

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Bisphosphonate. Potent bone resorption inhibitor similar to Risedronate ( Asc 3001 ). Metabolically incorporates into nonhydrolysable analogues of ATP. Active in vivo . Orally active.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

ATP inhibitor

Note

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753142
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753142
• Canonical Smiles: CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate
• InChIKey: GWBBVOVXJZATQQ-UHFFFAOYSA-L
• INCHI: 1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2
• Isomeric SMILES: CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+]
• RTECS: SZ8562240
• Molecular Weight: 249.99
• Reaxy-Rn: 5190835
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5190835&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: Organic phosphonic acids Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bisphosphonate - Organophosphonic acid - Organic alkali metal salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
• Description: 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: organic sodium salt

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

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Heat Sensitive
• Molecular Weight: 249.990 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 249.938 Da
• Monoisotopic Mass: 249.938 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 206.000
• 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: 3

XLogP3

References

1. Cao Xia, He Qing, Adu-Frimpong Michael, Shen Xinyi, Rong Wanjing, Li Xiaoxiao, Zhang Jian, Xia Xiaoli, Shi Feng, Ji Hao, Toreniyazov Elmurat, Wang Qilong, Yu Jiangnan, Xu Ximing.  (2022)  Preparation of Pinocembrin-Loaded F127/MPEG-PDLLA Polymer Micelles and Anti-Osteoporotic Activity.  AAPS PHARMSCITECH,  23  (7): (1-13).  [PMID:36207561] [10.1208/s12249-022-02427-1]

2. Ying-Qi Li, Yi Chen, Jia-Yi Fang, Si-Qi Jiang, Ping Li, Fei Li.  (2020)  Integrated network pharmacology and zebrafish model to investigate dual-effects components of Cistanche tubulosa for treating both Osteoporosis and Alzheimer's Disease.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:32173426] [10.1016/j.jep.2020.112764]

3. Fan Xinyu, Zhang Ying, Li Xinyu, Ding Junhui, Huang Jiaolong, Lian Kai, Duan Peng, Hu Chunhui, Xu Junchang.  (2025)  Unraveling Ginsenoside Rg1’s osteoprotective pathways in zebrafish models of glucocorticoid induced osteoporosis via transcriptomics.  Scientific Reports,  15  (1): (1-13).  [PMID:40835685] [10.1038/s41598-025-15284-2]

4. Xinyu Li, Xiaoyang Zhou, Zhiyong Li, Zilu Zhu, Songtao Wang, Jiaolong Huang, Kai Lian, Peng Duan, Chunhui Hu, Yihua Shi.  (2026)  Therapeutic functions of tanshinone IIA in a zebrafish model of glucocorticoid-induced osteoporosis.  Frontiers in Pharmacology,      [PMID:41929250] [10.3389/fphar.2026.1772925]