Ak-Tate

Base Information

• Chemical Name: Ak-Tate
• CAS No.: 52-21-1
• Molecular Formula: C23H30O6
• Molecular Weight: 402.488
• Hs Code.: 29372900
• European Community (EC) Number: 200-134-1
• Mol file: 52-21-1.mol

Synonyms:pred forte;prednisolone 21-acetate;prednisolone acetate;Scherisolone-Kristall suspension

Chemical Property of Ak-Tate

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 7.36E-16mmHg at 25°C
• Melting Point: 240-244 °C
• Refractive Index: 112 ° (C=1, Dioxane)
• Boiling Point: 579.8 °C at 760 mmHg
• PKA: 12.41±0.70(Predicted)
• Flash Point: 198.4 °C
• PSA: 100.90000
• Density: 1.28 g/cm³
• LogP: 2.12840
• Storage Temp.: 2-8°C
• Solubility.: Practically insoluble in water, slightly soluble in ethanol (96 per cent) and in methylene chloride.
• Water Solubility.: 11.6mg/L(25 oC)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 402.20423867
• Heavy Atom Count: 29
• Complexity: 827

Purity/Quality:

99%, ^*data from raw suppliers

Prednisolone acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,C,F
• Hazard Codes: T,C,F
• Statements: 25-34-11
• Safety Statements: 45-36/37/39-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
• Isomeric SMILES: CC(=O)OCC(=O)[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O
• Recent ClinicalTrials: DEXTENZA in Pediatric Patients Following Retinal Surgery or Laser Treatment Under Anesthesia
• Recent EU Clinical Trials: Effect of drop-less surgery compared to topical NSAID alone and combination of steroid and NSAID on central macular thickness after cataract surgery, a randomized controlled trial
• Uses: Synthetic corticosteroid; metabolically interconvertible with prednisone.
• Therapeutic Function: Glucocorticoid
• Clinical Use: For rheumatoid arthritis, rheumatic fever, lupus erythematosus, scleroderma, dermatomyositis, acute lymphoblastic leukemia, etc.

Technology Process of Ak-Tate

There total 19 articles about Ak-Tate 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: 99.8%

prednisolon (50-24-8,8056-11-9) + acetic anhydride (108-24-7) → prednisolone 21-acetate (52-21-1)

Guidance literature:

With dmap; In N,N-dimethyl-formamide; at 40 ℃; for 0.5h; Inert atmosphere;

Reference yield: 92.0%

21-acetoxy-9-bromo-11β,17-dihydroxy-pregna-1,4-diene-3,20-dione (4224-31-1) → prednisolone 21-acetate (52-21-1)

Guidance literature:

21-acetoxy-9-bromo-11β,17-dihydroxy-pregna-1,4-diene-3,20-dione; With chromium(VI) oxide; mercaptoacetic acid; zinc; In dimethyl sulfoxide; acetone; at 15 - 20 ℃;

With hydrogenchloride; In water; for 1h;

With sodium thiosulfate; In water; for 0.333333h; Reagent/catalyst;

Reference yield:

oxone + 11β,17α-dihydroxy-20-phenoxypregna-1,4,20-trien-3-one + Oxone + ethylene glycol (107-21-1) → prednisolon (50-24-8,8056-11-9) + prednisolone 21-acetate (52-21-1)

Guidance literature:

With potassium hydroxide; sodium hydroxide; In tetrahydrofuran; PO₄; dichloromethane; water; acetone;

upstream raw materials:

hydrocortisone acetate

21-acetoxy-11β-hydroxy-pregna-1,4,17(20)c-trien-3-one

prednisolon

acetic anhydride

Downstream raw materials:

prednisolon

prednisone acetate

(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

Acetic acid 2-oxo-2-((6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-ethyl ester