Paramethasone acetate

Base Information

• Chemical Name: Paramethasone acetate
• CAS No.: 1597-82-6
• Deprecated CAS: 25466-29-9
• Molecular Formula: C24H31 F O6
• Molecular Weight: 434.505
• European Community (EC) Number: 216-486-4
• UNII: 8X50N88ZDP
• DSSTox Substance ID: DTXSID8023422
• Nikkaji Number: J7.525F
• Wikipedia: Paramethasone_acetate
• Wikidata: Q27114737
• NCI Thesaurus Code: C66310
• Metabolomics Workbench ID: 35409
• ChEMBL ID: CHEMBL1200342
• Mol file: 1597-82-6.mol

Synonyms:paramethasone acetate

Chemical Property of Paramethasone acetate

Chemical Property:

• Vapor Pressure: 4.42E-16mmHg at 25°C
• Melting Point: 228-241° (dec)
• Boiling Point: 584.2 °C at 760 mmHg
• PKA: 12.29±0.70(Predicted)
• Flash Point: 307.1 °C
• PSA: 100.90000
• Density: 1.29 g/cm1.29 g/cm3
• LogP: 2.32240
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 434.21046687
• Heavy Atom Count: 31
• Complexity: 895

Purity/Quality:

98%Min ^*data from raw suppliers

ParamethasoneAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)F
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C)F
• Recent ClinicalTrials: Umbilical Cord Transplantation for the Elderly Population
• Recent EU Clinical Trials: A Multi-Center, Multi-National, Historical Cohort Controlled Study to Evaluate Efficacy and Safety of Transplantation of StemEx, Umbilical Cord Blood Stem and Progenitor Cells Expanded Ex Vivo, in Subjects with Hematologic Malignancies following Myeloablative Therapy
• Uses: Paramethasone Acetate, is a derivative of Dexamethasone (D298800), a potent synthetic member of the glucocorticoid class of steroid drugs that has anti-inflammatory and immunosuppressant properties. Glucocorticoid.
• Therapeutic Function: Glucocorticoid

Technology Process of Paramethasone acetate

There total 6 articles about Paramethasone acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

chromium chloride hexahydrate + 9α-Bromo-6α-fluoro-11β,17α,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-acetate (1997-73-5) → paramethasone acetate (1597-82-6)

Guidance literature:

With zinc; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; acetone;

Reference yield:

21-acetoxy-6α-fluoro-11β,17-dihydroxy-16α-methyl-pregn-4-ene-3,20-dione (1524-93-2) → paramethasone acetate (1597-82-6)

Guidance literature:

With selenium(IV) oxide;

DOI:10.1021/ja01521a088

Reference yield:

21-acetoxy-3,3-ethanediyldioxy-6β-fluoro-16α-methyl-5α-pregn-17(20)t-ene-5,11β-diol (3862-45-1) → paramethasone acetate (1597-82-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 4-methyl-morpholine; H₂O₂; OsO₄ / anschliessend mit HCl in CHCl₃ und Aethanol

2: SeO₂

With 4-methyl-morpholine; osmium(VIII) oxide; selenium(IV) oxide; dihydrogen peroxide;

DOI:10.1021/ja01521a088

upstream raw materials:

21-acetoxy-6α-fluoro-11β,17-dihydroxy-16α-methyl-pregn-4-ene-3,20-dione

21-acetoxy-3,3-ethanediyldioxy-6β-fluoro-16α-methyl-5α-pregn-17(20)t-ene-5,11β-diol

9α-Bromo-6α-fluoro-11β,17α,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-acetate

Downstream raw materials:

6α,9α-difluoro-11β,17α-dihydroxy-16α-methyl-21-acetoxypregna-1,4-diene-3,20-dione

Refernces

• 1、 -. "9α-dehalogenation process". . . Retrieved 2008/06/13.