Dexamethasone 21-phosphate disodium salt - Moligand™, ≥98% , Glucocorticoid receptor agonist, CAS No.2392-39-4, Glucocorticoid receptor agonist

CAS: 2392-39-4 Cat. No.: D107196 Molecular Weight: 516.41 Beilstein Registry Number: 6473066 EC Number: 219-243-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

Dalalone (TN) | Dexaject SP | 21-Disodium phosphate dexamethasone | Cortaren Corticosteroid/Anti-Inflammatory System | DEXAMETHASONE SODIUM PHOSPHATE [VANDF] | SOLUPEN N | Dexair | dexamethasonedisodium phosphate | SCHEMBL7778 | Tox21_113181 | DEXAMETHASO

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Dexamethasone 21-phosphate disodium salt acts as an inducer of apoptosis and inhibitor of the sodium phosphate symporter. It is used in the treatment of emetic effects of cancer therapy and epicondylitis. Further, it serves as an activator of food, medicine, glucocorticoid and anti inflammatory.

Specifications

Synonyms

Dalalone (TN) | Dexaject SP | 21-Disodium phosphate dexamethasone | Cortaren Corticosteroid/Anti-Inflammatory System | DEXAMETHASONE SODIUM PHOSPHATE [VANDF] | SOLUPEN N | Dexair | dexamethasonedisodium phosphate | SCHEMBL7778 | Tox21_113181 | DEXAMETHASO

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Potent glucocorticoid receptor agonist and dexamethasone prodrug. Multiple effects on cell survival, cell signaling and gene expression. Anti-inflammatory and immunosupressant. Active in vivo.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Glucocorticoid receptor agonist

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

• Canonical Smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
• IUPAC Name: disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
• InChIKey: PLCQGRYPOISRTQ-FCJDYXGNSA-L
• INCHI: 1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
• WGK Germany: 3
• RTECS: TU4056000
• Alternate CAS: 312-93-6
• Molecular Weight: 516.41
• Beilstein: 6473066
• Reaxy-Rn: 29316793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29316793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Pregnane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: 20-oxosteroids 11-beta-hydroxysteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Glycerone phosphates Alkyl phosphates Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Cyclic ketones Fluorohydrins Organic metal halides Alkyl fluorides Hydrocarbon derivatives Organofluorides Organic sodium salts Organic oxides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 17-hydroxysteroid - Delta-1,4-steroid - Glycerone phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Tertiary alcohol - Alpha-hydroxy ketone - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Fluorohydrin - Ketone - Halohydrin - Organic metal halide - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organofluoride - Carbonyl group - Organooxygen compound - Alkyl halide - Alkyl fluoride - Alcohol - Organic salt - Organic sodium salt - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
• 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(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. Slightly soluble in ethanol. Insoluble in dichloromethane.
• Sensitivity: Moisture sensitive，heat sensitive
• Melt Point(°C): 235 °C
• Molecular Weight: 516.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 516.13 Da
• Monoisotopic Mass: 516.13 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 961.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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. Yu Qiao, Guoqiang Fan, Jun Guo, Shixing Gao, Ruqian Zhao, Xiaojing Yang.  (2018)  Effects of adipokine zinc-α2-glycoprotein on adipose tissue metabolism after dexamethasone treatment.  Applied Physiology Nutrition and Metabolism,  44  (1):   [PMID:29972738] [10.1139/apnm-2018-0165]

2. Muqing Xu, Dong Ma, Dongxiu Chen, Jieqing Cai, Qiaofang He, Fan Shu, Jie Tang, Hongzheng Zhang.  (2018)  Preparation, characterization and application research of a sustained dexamethasone releasing electrode coating for cochlear implantation.  Materials Science & Engineering C-Materials for Biological Applications,      [PMID:29853079] [10.1016/j.msec.2018.04.033]

3. Xiong Liu, Xiangjun Ou, Tiantian Zhang, Xiaonan Li, Qi Qiao, Liyuan Jia, Zhangxi Xu, Fangming Zhang, Tianyi Tian, Hongbing Lan, Conglian Yang, Li Kong, Zhiping Zhang.  (2024)  In situ neutrophil apoptosis and macrophage efferocytosis mediated by Glycyrrhiza protein nanoparticles for acute inflammation therapy.  JOURNAL OF CONTROLLED RELEASE,      [PMID:38508529] [10.1016/j.jconrel.2024.03.029]

4. Chen Liang, Yexuan Guo, Rui Xue Zhang, Hong Yan.  (2024)  Microtubular and high porosity design of electrospun PEGylated poly (lactic-co-glycolic acid) fibrous implant for ocular multi-route administration and medication.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:39326475] [10.1016/j.ijpharm.2024.124751]

5. Pan Liu, Jiezhong Deng, Yusheng Yang, Wenxi Bai, Shengtao Dong, Zehua Zhang.  (2025)  Mycobacterium tuberculosis specific protein Rv1509 modulates osteoblast and osteoclast differentiation via TLR2 signaling.  iScience,      [PMID:40129707] [10.1016/j.isci.2025.112107]

6. Wei Chen, Qi Xie, Zhanhao Zhou, Jia Kang, Yuan Gao, Haoyu Zhang, Samira Batur, Chuansheng Fu, Yunyun Li, Conglian Yang, Li Kong, Zhiping Zhang.  (2025)  Pulmonary surfactant-biomimetic membranized coacervate injection for acute respiratory distress syndrome therapy.  Acta Pharmaceutica Sinica B,      [PMID:41311384] [10.1016/j.apsb.2025.08.025]

7. Xiyue Duan, Kepeng Hu, Jiawei Wang, Xiaozhao Wang, Xiaojun Long, Weiming Lin, Chengwei Wu, Wenjian Weng, Zhangfa Song, Kui Cheng.  (2025)  Core-shell engineered Col/Cs@ECM microspheres for macrophage-targeted intracellular drug release in RA therapy.  Bioactive Materials,      [PMID:40995111] [10.1016/j.bioactmat.2025.08.043]

8. Yijing Li, Dan Lin, Jinrun Chen, Wenqiao Zhang, Huanting Jin, Shuqi Feng, Huanyu Mao, Jiabei Hou, Xingyi Li, Yuqin Wang, Jianhong Zhou.  (2025)  Alkaline phosphatase-responsive hydrogel for efficient management of autoimmune intraocular inflammation.  JOURNAL OF CONTROLLED RELEASE,      [PMID:40945533] [10.1016/j.jconrel.2025.114229]

9. Shihan Feng, Na Zhou, Ting Wang, Yongyue Wang, Ranxi Shu, Yongli Liu, Gang Lyu.  (2026)  Mechanisms of topical Mahoniae Caulis against acute mastitis: Integrating SMR, network pharmacology, molecular docking, and experimental validation.  TISSUE & CELL,      [PMID:] [10.1016/j.tice.2026.103472]