기본 정보
- CAS
50-04-4- 표준 SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C- InChIKey
ITRJWOMZKQRYTA-RFZYENFJSA-N- 분자식
- C23H30O6
- 평균 분자량
- 402.5 g/mol
- 단동위원소 질량
- 402.20423867
이름 및 식별자
- 우선 이름
- Cortisone Acetate
- IUPAC
- [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- 현지명
- 코르티손-21-아세트산
- 영어명
- Cortisone acetate
- 분자식
- C23H30O6
- 분자량
- 402.48
이름 및 동의어
CORTISONE ACETATE50-04-4Cortisone 21-acetateCortone acetateCortisylCortelanCortistabPregn-4-ene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-Cortisone, 21-acetateCortisone aceticumDTXSID0022858NSC-49420
이름 더 보기
코르티손아세테이트코르티손-21-아세트산코르티손2-((8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-diMethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetateartrionaricortexNSC 49420biocortacetatecortoneacetate
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-acetate883WKN7W8X21-(Acetyloxy)-17-hydroxypregn-4-ene-3,11,20-trioneDTXCID502858NSC4942017alpha,21-dihydroxypregn-4-ene-3,11,20-trione acetate17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetateRefChem:54895
데이터베이스 식별자
- CAS
50-04-4
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 97.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 827
실험 및 물리화학적 성질
LogP
2.1
2.10
Solubility
20
2.78e-02 g/L
Melting Point
227-229
222 °C
Physical DescriptionSolid
Collision Cross Section196.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 237 · 237-240 °C(lit.)
- 끓는 점
- 577.3 · 577.3±50.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 굴절률
- 212 ° · 212 ° (C=1, MeOH)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 물에 거의 녹지 않으며, 염화메틸렌에 잘 녹고, 디옥산에 녹고, 아세톤에는 조금 녹고, 에탄올(96%)과 메탄올에는 약간 녹습니다.
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 12.32 · 12.32±0.60(Predicted)
- 색상
- 흰색에서 황백색까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H312 (73.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (73.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H361 (87%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P261, P271, P280, P302+P352, P304+P340, P317, P318, P321, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 23 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Status: Active Update: 14-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21329
Cortisone acetate: 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, 21-(acetyloxy)-17-hydroxy-: Environment tier I assessment；IMAP assessments - Pregn-4-ene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (73.9%)；Acute Tox. 4 (73.9%)；Repr. 2 (87%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Cortisone acetate
화학 및 산업
약리 정보
Protein BindingCorticosteroids 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. The duration of action is moderate as it is generally given once daily. 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.
FDA Pharmacological Classification
CORTISONE ACETATE
Corticosteroid Hormone Receptor Agonists [MoA]; Corticosteroid [EPC]
MeSH Pharmacological ClassificationSubstances that reduce or suppress INFLAMMATION.
Absorption, Distribution and Excretion
Corticosteroids are eliminated predominantly in the urine.
Data regarding the clearance of cortisone acetate is not readily available.
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