etidronato disódico - ≥98% , ATP inhibitor, CAS No.7414-83-7, ATP inhibitor

CAS: 7414-83-7 Cat. No.: D135681 Peso molecular: 249.99 Número EC: 231-025-7

GRADE & PURITY ≥98%

Synonyms

AC-2078 | 1-hidroxietilideno fosfonato disódico | KS-1297 | 1-hidroxietano-1,1-diildifosfonato dihidrógeno disódico | Etidronato disódico | FT-0630369 | Etidronato disódico (JP17/USP) | EINECS 231-025-7 | Etidron | ETIDRONATO DISÓDICO [MONOGRÁFICO USP]

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

El etidronato disódico es un bifosfonato inhibidor de la resorción ósea. Los ligandos fosfonato demuestran una afinidad muy elevada por los iones de metales alcalinos y forman cristales con cierta dificultad. Los compuestos quelantes de organofosfonato son capaces de impedir la precipitación de sales de calcio a concentraciones estequiométricas, lo que es aplicable en la inhibición de la corrosión, el tratamiento del agua y la inhibición de incrustaciones. El etidronato disódico es un inhibidor del FDPS.

Specifications

Sinónimos

AC-2078 | 1-hidroxietilideno fosfonato disódico | KS-1297 | 1-hidroxietano-1, 1-diildifosfonato dihidrógeno disódico | Etidronato disódico | FT-0630369 | Etidronato disódico (JP17/USP) | EINECS 231-025-7 | Etidron | ETIDRONATO DISÓDICO [MONOGRÁFICO USP]

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Bifosfonato. Potente inhibidor de la resorción ósea similar al Risedronato ( Asc 3001 ). Se incorpora metabólicamente en análogos no hidrolizables del ATP. Activo in vivo . Activo por vía oral.

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Tipo de acción

INHIBITOR

Mecanismo de acción

ATP inhibitor

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753142
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753142
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+]
• RTECS: SZ8562240
• Peso molecular: 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
    • Clase Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Heat Sensitive
• Peso molecular: 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

Referencias

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]