コルチゾン
Cortisone
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基本情報
- CAS
53-06-5- 標準SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO- InChIKey
MFYSYFVPBJMHGN-ZPOLXVRWSA-N- 分子式
- C21H28O5
- 平均分子量
- 360.4 g/mol
- 単同位体質量
- 360.19367399
概要
Cortisone is a C21-steroid that is pregn-4-ene substituted by hydroxy groups at positions 17 and 21 and oxo group at positions 3, 11 and 20. It has a role as a mouse metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-oxo steroid, an 11-oxo steroid, a 3-oxo-Delta(4) steroid and a C21-steroid. It derives from a hydride of a pregnane.
名称と識別子
- 優先名称
- Cortisone
- IUPAC
- (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
- 現地名
- コルチゾン
- 英語名
- CORTISONE
- 分子式
- C21H28O5
- 分子量
- 360.44
名称と別名
cortisone53-06-5Kendall's compound EReichstein's substance FAWintersteiner's compound F17-Hydroxy-11-dehydrocorticosterone11-Dehydro-17-hydroxycorticosteroneCortisonaPregn-4-ene-3,11,20-trione, 17,21-dihydroxy-Cortisonum17,21-Dihydroxypregn-4-ene-3,11,20-trioneKortison
名称をさらに表示
コルチゾンライヒシュタイン物質Fa化合物EKendall化合物EコルトンWintersteiner化合物FコルチサートReichstein物質Fa17,21-ジヒドロキシプレグナ-4-エン-3,11,20-トリオン17α,21-ジヒドロキシプレグナ-4-エン-3,11,20-トリオンウィンターシュタイナー化合物Fコルチビットコルトゲンアドレナレックスコーチゾンコルチソンケンダル化合物EコンパウンドEコルチゾン, 結晶(1R,3aS,3bS,9aR,9bS,11aS)-1-ヒドロキシ-1-(2-ヒドロキシアセチル)-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7,10-ジオンKE
物性
構造計算による物性補完中
- 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
- 724
実験および物理化学的性質
DrugsPharmaceuticals -> Steroids
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
SpringerMaterials PropertiesMagnetic anisotropy
LogP
1.47
1.64
Solubility0.28 mg/mL at 25 °C
Human DrugsBreast Feeding; Lactation; Milk, Human; Corticosteroids, Systemic; Glucocorticoids; Anti-Inflammatory Agents
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point222 °C
Physical DescriptionSolid
Collision Cross Section
257.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5022857]
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。
GHS分類
GHS Classification
Warning
H361 (98%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationCortisone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-: Human health tier I assessment
Hazard Classes and CategoriesRepr. 2 (98%)
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
EPA Human Health Benchmarks for Pharmaceuticals
Cortisone
0.6
2.5
The initial dosage varies from 25 to 300 mg a day depending on the disease being treated. The initial dosage should be maintained or adjusted until the patient’s response is satisfactory.
Data used to generate the benchmarks include the following: Lowest Daily Dose (LDD): 25 mg/day, Lowest Therapeutic Dose (LTD): 0.3 mg/kg-day, and Screening Dose: 0.0001 mg/kg-day.
8-Jun-10
安全データ
- F
- 18
- wgk
- 3
化学と産業
薬理情報
ATC Code
H - Systemic hormonal preparations, excl. sex hormones and insulins
S - Sensory organs
QH - Systemic hormonal preparations, excl. sex hormones and insulin
QS - Sensory organs
FDA Pharmacological Classification
V27W9254FZ
CORTISONE
Established Pharmacologic Class [EPC] - Corticosteroid
Mechanisms of Action [MoA] - Corticosteroid Hormone Receptor Agonists
Cortisone is a Corticosteroid. The mechanism of action of cortisone is as a Corticosteroid Hormone Receptor Agonist.
MeSH Pharmacological ClassificationSubstances that reduce or suppress INFLAMMATION.
Tissue LocationsAdipose Tissue
Cellular LocationsEndoplasmic reticulum
Metabolite Pathways11-beta-hydroxylase deficiency (CYP11B1)
用途と製造
UsesCalculated removal (%): 45.8
Use Classification
Pharmaceuticals -> Steroid hormones
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
応用分野
解説コルチゾン，白色の結晶．融点215 ℃．[α]D25"＋209°(エタノール)．水にほとんど不溶，エタノール，アセトンに可溶，エーテル，ベンゼンに難溶．グルココルチコイド作用が強く，ミネラルコルチコイド作用は弱い．副腎皮質機能不全，リウマチ性疾患，アレルギー性疾患，皮膚疾患などの治療に用いられる．コルチゾンのエステル誘導体ではコルチゾン21-アセタートが知られている．森北出版「化学辞典（第2版）
用途薬理研究用。
使用Cortisone is used for inflammatory processes, allergies, and adrenal insufficiency.
関連反応
3 件
化合物ノート
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