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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H49NO10S
Molecular Weight 651.808
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLPREDNISOLONE 21-SULEPTANIC ACID ESTER

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS(O)(=O)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](C)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=PSCNNGGPKIBAHB-WFVOKNHCSA-N
InChI=1S/C33H49NO10S/c1-21-17-23-24-12-14-33(40,32(24,3)19-26(36)30(23)31(2)13-11-22(35)18-25(21)31)27(37)20-44-29(39)10-8-6-5-7-9-28(38)34(4)15-16-45(41,42)43/h11,13,18,21,23-24,26,30,36,40H,5-10,12,14-17,19-20H2,1-4H3,(H,41,42,43)/t21-,23-,24-,26-,30+,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H49NO10S
Molecular Weight 651.808
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Methylprednisolone is a prednisolone derivative with similar anti-inflammatory and immunosuppressive action. It is adjunctive therapy for short-term administration in rheumatoid arthritis. It is indicated in the following conditions: endocrine disorders, rheumatic disorders, collagen diseases, allergic states etc. Methylprednisolone is marketed in the USA and Canada under the brand names Medrol and Solu-Medrol. Methylprednisolone is a GR receptor agonist.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
2.4 nM [EC50]
1.07 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
MEDROL
Primary
MEDROL
Primary
MEDROL

Cmax

ValueDoseCo-administeredAnalytePopulation
213 ng/mL
32 mg single, intravenous
METHYLPREDNISOLONE plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
931 ng × h/mL
32 mg single, intravenous
METHYLPREDNISOLONE plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
2.3 h
32 mg single, intravenous
METHYLPREDNISOLONE plasma
Homo sapiens

Funbound

ValueDoseCo-administeredAnalytePopulation
23%
METHYLPREDNISOLONE plasma
Homo sapiens

Doses

Overview

CYP3A4CYP2C9CYP2D6hERG


OverviewOther

Other InhibitorOther SubstrateOther Inducer





Drug as perpetrator​

Drug as victim

PubMed

Sample Use Guides

In Vivo Use Guide
Each Medrol Tablet (methylprednisolone) for oral administration contains 2 mg, 4 mg, 8 mg, 16 mg or 32 mg of methylprednisolone. The initial dosage of Medrol Tablets may vary from 4 mg to 48 mg of methylprednisolone per day depending on the specific disease entity being treated.
Route of Administration: Other
In Vitro Use Guide
Treatment with methylprednisolone concentrations above 50 uM could ignificantly reduce the proliferation activity of human CLL cell line MEC-1 by 23.34%, 30.73%, 30.57% after 24 h, and 28.48%, 42.35%, 44.56% after 48 h respectively
Substance Class Chemical
Record UNII
3O5T2NJE2D
Record Status Validated (UNII)
Record Version