基本情報
- CAS
25122-46-7- 標準SMILES
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
CBGUOGMQLZIXBE-XGQKBEPLSA-N- 分子式
- C25H32ClFO5
- 平均分子量
- 467 g/mol
- 単同位体質量
- 466.19223
概要
Clobetasol Propionate can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.
名称と識別子
- 優先名称
- Clobetasol Propionate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
- 現地名
- プロピオン酸クロベタゾール
- 英語名
- Clobetasol propionate
- 分子式
- C25H32ClFO5
- 分子量
- 466.97
名称と別名
CLOBETASOL PROPIONATE25122-46-7Clobetasol 17-propionateClobexDermovateTemovateEmbelineCormaxOluxEmbeline ETemovate EOlux-E
名称をさらに表示
21-クロロ-9α-フルオロ-11β-ヒドロキシ-16β-メチル-17α-プロピオニルオキシ-1,4-プレグナジエン-3,20-ジオンクロベタソールプロピオナートクロベタゾールプロピオナートソルベガエンチフルゾンマイアロンデルモバートグリジールクロベタソール17-プロピオナートプロピオン酸クロベタゾールデルトピカクロベタゾールプロピオン酸エステルデルスパートデルモベート21-クロロ-9-フルオロ-11β,17-ジヒドロキシ-16β-メチルプレグナ-1,4-ジエン-3,20-ジオン=17-プロピオナートマハディ17-プロピオン酸クロベタゾール21-クロロ-9α-フルオロ-11β,17α-ジヒドロキシ-16β-メチル-1,4-プレグナジエン-3,20-ジオン17-プロピオナートプロピオン酸クロベタゾール標準品クロベタゾールプロピオン酸エステル (JP17)CLOBETASOLE PROPIONATECLOBETASOL-17-PROPIONATE17-propionateClobetazole propionate21-Chloro-9-fluoro-11b,17-dihydroxy-16b-methylpregna-1,4-diene-3,20-dione 17-propionate
ImpoyzPsorexCCI 4725GR 2/925clobetasol 17-propanoateOlux EClareluxDovate
データベース識別子
- CAS
25122-46-7- PubChem CID
- 32798
- DTXSID
DTXSID6045907- ChEMBL
CHEMBL1159650- ChEBI
CHEBI:31414- UNII
- 779619577M
- EC Number
- 246-634-3
- Nikkaji
- J21.005F
物性
構造計算による物性
- XLogP
- 3.8
- 極性表面積
- 80.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 929
実験および物理化学的性質
Drugs
Pharmaceuticals -> Dermatologicals -> Corticosteroids, dermatological preparations
Pharmaceuticals -> Listed in ZINC15
LogP3.18
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section205.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 195.5 · 195.5-1970C
- 比旋光度
- 103.8 ° · D +103.8° (c = 1.04 in dioxane)
- 沸点
- 569 · 569.0±50.0 °C(Predicted)
- 比重(密度)
- 1.1653 · 1.1653 (estimate)
- 貯蔵温度
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 溶解性
- 水にほとんど溶けず、アセトンに溶けやすく、エタノールに溶けにくい (96%)。
- 酸解離定数(Pka)
- 12.88 · 12.88±0.70(Predicted)
- 外見
- Solid
- 色
- White to off-white
- 主な用途
- 法医学と毒物学獣医
- InChIKey
- CBGUOGMQLZIXBE-XGQKBEPLSA-N
- SMILES
- O([C@@]1([C@H](C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C)C(=O)CCl)C(=O)CC |&1:1,2,4,6,16,18,20,23,r|
- CAS データベース
- 25122 · 25122-46-7(CAS DataBase Reference)
化学的性質
化学的特性White or almost white, crystalline powder.
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
Danger
H315 (34.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 91 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Hazard Traits - Developmental Toxicity; Reproductive Toxicity
Clobetasol propionate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-, (11.beta.,16.beta.)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (34.1%)
安全データ
- wgk
- 2
- rtecs
- TU3725000
- hs_code
- 29372290
- risk_code
- 36/37/38-62-53-48/20/21-61
- hazard_code
- Xi,T
- safety_code
- 26-36-45-36/37-53
- Hazard Classifications
- Aquatic Chronic 4Repr. 1BSTOT RE 2
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
Protein BindingData regarding the protein binding of clobetasol propionate are not readily available. Corticosteroids are generally bound to corticosteroid binding globulin and serum albumin in plasma.
Pharmacodynamics
Corticosteroids bind to the glucocorticoid receptor, inhibiting pro-inflammatory signals, and promoting anti-inflammatory signals. Clobetasol propionate is generally applied twice daily so the duration of action is long. Corticosteroids have a wide therapeutic window as patients may require doses that are multiples of what the body naturally produces. Patients taking corticosteroids should be counselled regarding the risk of hypothalamic-pituitary-adrenal axis suppression and increased susceptibility to infections.
Mechanism of Action
The short term effects of corticosteroids are decreased vasodilation and permeability of capillaries, as well as decreased leukocyte migration to sites of inflammation. Corticosteroids binding to the glucocorticoid receptor mediates changes in gene expression that lead to multiple downstream effects over hours to days. Glucocorticoids inhibit neutrophil apoptosis and demargination; they inhibit phospholipase A2, which decreases the formation of arachidonic acid derivatives; they inhibit NF-Kappa B and other inflammatory transcription factors; they promote anti-inflammatory genes like interleukin-10. Lower doses of corticosteroids provide an anti-inflammatory effect, while higher doses are immunosuppressive. High doses of glucocorticoids for an extended period bind to the mineralocorticoid receptor, raising sodium levels and decreasing potassium levels.
Biological Half-LifeData regarding the half life of clobetasol propionate are not readily available.
Metabolism/Metabolites
The metabolism of clobetasol propionate is not well studied but it does induce metabolic enzymes, even when delivered topically. The metabolism of clobetasol propionate is predicted to follow similar metabolic pathways to other corticosteroids including the addition of oxygen, hydrogen, glucuronides, and sulfates to form water soluble metabolites.
FDA Pharmacological Classification
CLOBETASOL PROPIONATE
Corticosteroid Hormone Receptor Agonists [MoA]; Corticosteroid [EPC]
CLOBETASOL PROPIONATE CREAM USP, 0.05%
Corticosteroid [EPC]; Corticosteroid Hormone Receptor Agonists [MoA]
CLOBETASOL PROPIONATE OINTMENT USP, 0.05%
Corticosteroid [EPC]; Corticosteroid Hormone Receptor Agonists [MoA]
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.
Absorption, Distribution and Excretion
Twice daily application of clobetasol foam leads to a Cmax of 59±36pg/mL with a Tmax of 5 hours. Clobetasol cream showed an increase in clobetasol concentrations from 50.7±96.0pg/mL to 56.3±104.7pg/mL.
Corticosteroids are eliminated predominantly in the urine.
Data regarding the volume of distribution of clobetasole propionate are not readily available.
Data regarding the clearance of clobetasol propionate are not readily available.
用途と製造
Use ClassificationPharmaceuticals
応用分野
用途副腎皮質ホルモン剤です。鉱 質コルチコイド作用を弱めた性質を有してい ます。
用途副腎皮質ホルモン剤です。鉱 質コルチコイド作用を弱めた性質を有してい ます。
使用Topical corticosteroid. Glucocorticoid; anti-inflammatory. Clobetasol propionate (Cormax, Temovate, Embeline, Olux) is one of the most potent of the currently available agents and is indicated for short-term treatment of inflammatory or hyperplastic disorders. It is a synthetic fluorinated corticosteroid. It may cause a more rapid or prolonged response than other topical corticosteroids. It is recommended that clobetasol have a maximum application of 60 g/week for no longer than 14 days without occlusion and that it should not be used in children below age 12.
上流・下流製品情報
上流原料
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东雨禾医药科技有限公司15263077727 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]
Jai Radhe Sales+(91)-(79)-26431096/65255722 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
广州旺晟生物科技有限公司020-87317062 13048089691 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
補足説明
定義ChEBI: The 17-O-propionate ester of clobetasol. A potent corticosteroid, it is used to treat various skin disorders, including exzema and psoriasis.
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…