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17,21-Dihydroxypregna-1,4-diene-3,11,20-trione

HCID 4900
ノート反応
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基本情報

CAS
1192475-75-4
標準SMILES
CC12C=CC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO
InChIKey
XOFYZVNMUHMLCC-UHFFFAOYSA-N
分子式
C21H26O5
平均分子量
358.4 g/mol
単同位体質量
358.17802393

名称と識別子

優先名称
17,21-Dihydroxypregna-1,4-diene-3,11,20-trione
IUPAC
17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

名称と別名

1192475-75-4DTXSID10858978RefChem:1057583DTXCID4020886617,21-Dihydroxypregna-1,4-diene-3,11,20-trione1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dionedelta-Cortonedelta-ENisone (Salt/Mix)Cortancyl (Salt/Mix)Delcortin (Salt/Mix)
名称をさらに表示
Deltalone (Salt/Mix)MLS002638114Metrevet (Veterinary) (Salt/Mix)1,4-Pregnadiene-17.alpha.,21-diol-3,11,20-trione17.alpha.,21-Dihydroxy-1,4-pregnadiene-3,11,20-trioneorb1224785SCHEMBL3408330HMS2232G16

データベース識別子

CAS
1192475-75-4
PubChem CID
4900
DTXSID
DTXSID10858978

物性

構造計算による物性

XLogP
1.5
極性表面積
91.7 Ų
水素結合供与体数
2
水素結合受容体数
5
回転可能結合数
2
重原子数
26
形式電荷
0
複雑度
764

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

毒性情報

Exposure Routes · 1 件

Readily absorbed from the gastrointestinal tract. Rayos, the delayed-release formulation, has a 4-hour release time. To compare, the delayed-release formulation has a Tmax of 6.0 - 6.5 hours in healthy male subjects, whereas the immediate-release formulation has a Tmax of 2.0 hours. The rate of absorption, Cmax, and exposure is comparable between formulations.

Toxicity Summary · 1 件

Prednisone is a glucocorticoid receptor agonist. It is first metabolized in the liver to its active form, prednisolone. Prednisolone crosses cell membranes and binds with high affinity to specific cytoplasmic receptors. The result includes inhibition of leukocyte infiltration at the site of inflammation, interference in the function of mediators of inflammatory response, suppression of humoral immune responses, and reduction in edema or scar tissue. The antiinflammatory actions of corticosteroids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. Prednisone can stimulate secretion of various components of gastric juice. Suppression of the production of corticotropin may lead to suppression of endogenous corticosteroids. Prednisone has slight mineralocorticoid activity, whereby entry of sodium into cells and loss of intracellular potassium is stimulated. This is particularly evident in the kidney, where rapid ion exchange leads to sodium retention and hypertension.

Carcinogen ClassificationPrednisone is not classifiable as to its carcinogenicity to humans (Group 3). Prednisone is part of MOPP, a combination chemotherapy regimen that is carcinogenic to humans (Group 1). (L135)

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Prednisone is completely converted to the active metabolite prednisolone by 11‘_-hydroxysteroid dehydrogenases. It is then further metabolized mainly in the liver. The exposure of prednisolone is 4-6 fold higher than that of prednisone. Route of Elimination: Excreted in the urine as sulfate and glucuronide conjugates. Half Life: Half life of both the immediate- and delayed- release formulation is 2 to 3 hours.

用途と製造

Uses · 1 件

For the treatment of drug-induced allergic reactions, perennial or seasonal allergic rhinitis, serum sickness, giant cell arteritis acute rheumatic or nonrheumatic carditis, systemic dermatomyositis, systemic lupus erythematosus, atopic dermatitis, contact dermatitis, exfoliative dermatitis, bullous dermatitis herpetiformis, severe seborrheic dermatitis, severe (Stevens-Johnson syndrome) erythema multiforme, mycosis fungoides, pemphigus, severe psoriasis, acute adrenocortical insufficiency, Addison's disease, secondary adrenocortical insufficiency, congenital adrenal hyperplasia, hypercalcemia associated with neoplasms, nonsuppurative thyroiditis, ulceratice colitis, Crohn's disease, acquired hemolytic anemia, congenital hypoplastic anemia, erythroblastopenia, adult secondary thrombocytopenia, adult idiopathic thrombocytopenia purpura, acute or subacute bursitis, epicondylitis, acute nonspecific tenosynovitis, acute or chronic lymphocytic leukemia, Hodgkin's or non-Hodgkin's lynphomas, Waldenstrom's macroglobulinemia, primary brain tumors (adjunct), nephrotic syndrome, tuberculous meningitis, multiple sclerosis, myasthenia gravis. cerebral edema, chorioretinitis, diffuse posterior choroiditis, aleergic conjunctivitis, Herpes zoster ophthalmicus, anterior segment inflammation, iridocyclitis, iritis, keratitis, optoc neuritis, sympathetic ophthalmia, corneal marginal allergic ulcers, symptomatic sarcoidosis, Loeffler's syndrome not manageable by other means, berylliosis, fulminating or disseminated pulmonary tuberculosis when used concurrently with appropriate antituberculous chemotherapy and aspiration pneumonitis.

関連反応

1 件
反応記録を作成
HRID 1556901 の反応式
HRID 1556901反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

化合物ノート

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