Pharmakon1600-01701028

Base Information

• Chemical Name: Pharmakon1600-01701028
• CAS No.: 53-06-5
• Molecular Formula: C21H28O5
• Molecular Weight: 360.45
• Hs Code.: 2937210000
• NSC Number: 759565
• ChEMBL ID: CHEMBL68363
• Mol file: 53-06-5.mol

Synonyms:SR-05000001827;Spectrum_000402;SpecPlus_000931;Spectrum2_001824;Spectrum3_001759;Spectrum4_001780;Spectrum5_000399;BSPBio_003498;KBioGR_002300;KBioSS_000882;CHEMBL68363;DivK1c_007027;SPECTRUM1701028;SPBio_001867;MEGxm0_000468;SCHEMBL10089738;ACon1_002151;KBio1_001971;KBio2_000882;KBio2_003450;KBio2_006018;KBio3_002718;HMS3371J02;HMS3394A21;Pharmakon1600-01701028;CCG-39608;NSC759565;NSC-759565;SDCCGMLS-0066928.P001;NCGC00178031-01;NCGC00178031-02;SBI-0052694.P002;AB00053197_02;SR-05000001827-1;SR-05000001827-2;SR-05000001827-3;BRD-A62731508-001-02-5;BRD-A62731508-001-03-3;BRD-A62731508-001-04-1

Chemical Property of Pharmakon1600-01701028

Chemical Property:

• Appearance/Colour: Off-white crystalline powder
• Vapor Pressure: 2.96E-15mmHg at 25°C
• Melting Point: 220-224 °C
• Refractive Index: 210 ° (C=1, EtOH)
• Boiling Point: 567.77 °C at 760 mmHg
• PKA: 12.37±0.60(Predicted)
• Flash Point: 311.226 °C
• PSA: 91.67000
• Density: 1.286 g/cm³
• LogP: 1.98980
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly), Ethanol (Slightly, He
• Water Solubility.: 229.9mg/L(25 oC)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 360.19367399
• Heavy Atom Count: 26
• Complexity: 724

Purity/Quality:

99% ^*data from raw suppliers

Cortisone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T,Xn
• Hazard Codes: F,T,Xn
• Statements: 11-23/24/25-39/23/24/25-63
• Safety Statements: 22-24/25-45-36/37-16-7

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C
• Isomeric SMILES: C[C@]12CCC(=O)C=C1CCC3C2C(=O)C[C@]4(C3CC[C@@]4(C(=O)CO)O)C
• Uses: Cortisone is used for inflammatory processes, allergies, and adrenal insufficiency. Glucocorticoid, anti-inflammatory agent antiinflammatory, glucocorticoid Anticoagulant
• Therapeutic Function: Glucocorticoid
• Clinical Use: Cortisone is administered orally or by intramuscular (IM) injection as its 21-acetate (cortisone acetate).Cortisone acetate or hydrocortisone usually is the corticosteroid of choice for replacement therapy in patients with adrenocortical insufficiency, because these drugs have both glucocorticoid and mineralocorticoid properties.

Technology Process of Pharmakon1600-01701028

There total 54 articles about Pharmakon1600-01701028 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: 98.0%

Prednison (53-03-2) → Cortisone (53-06-5)

Guidance literature:

With palladium 10% on activated carbon; hydrazine hydrate; In methanol; at 62 - 64 ℃; for 8h;

Reference yield: 75.0%

17α-Hydroxy-21-(methoxymethoxy)pregn-5-ene-3,11,20-trione 3-(Ethylene acetal) (128802-62-0) → Cortisone (53-06-5)

Guidance literature:

With hydrogenchloride; In methanol; for 96h; Ambient temperature;

DOI:10.1021/jo00308a022

Reference yield: 62.0%

Cortisone acetate (50-04-4) → Cortisone (53-06-5)

Guidance literature:

With lipase from Candida cylindracea; octanol; In water; acetonitrile; at 37 ℃; for 144h;

DOI:10.1016/S0040-4039(00)96910-7

upstream raw materials:

Cortisone acetate

HYDROCORTISONE

Cortexolone

Epicortisol

Downstream raw materials:

cortisone 21-hemisuccinate

21-(3-cyclopentyl-propionyloxy)-17-hydroxy-pregn-4-ene-3,11,20-trione

Prednison

17α,20β,21-trihydroxy-1,4-pregnadiene-3,11-dione

Refernces

• 1、 Lee, Yil Seob,Lorenzo, Beverly J.,Koufis, Theo,Reidenberg, Marcus M.. "Grapefruit juice and its flavonoids inhibit 11β-hydroxysteroid dehydrogenase". . p. 62 - 71. Retrieved 1996.
• 2、 -. "Selective reduction of 4,6- conjugate diene -3-one steroid compound method". Paragraph 0098-0105. . Retrieved 2019/11/21.
• 3、 -. "Method for reducing or preventing transplant rejection in the eye and intraocular implants for use therefor". . . Retrieved 2008/06/13.