코르티존
Cortisone
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기본 정보
- CAS
53-06-5- 표준 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- 분자식
- C21H28O5
- 평균 분자량
- 360.4 g/mol
- 단동위원소 질량
- 360.19367399
개요
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.
이름 및 식별자
- 우선 이름
- 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
- 현지명
- 코르티존
- 영어명
- CORTISONE
- 분자식
- C21H28O5
- 분자량
- 360.44
이름 및 동의어
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
이름 더 보기
KECortisonCorlinCORTONE17A 21-DIHYDROXY-4-PREGNEN-3 17 20-TRIONE(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(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,11(2H)-dioneCortonAdreson
4-Pregnene-17alpha,21-diol-3,11,20-trione17alpha,21-Dihydroxypregn-4-ene-3,11,20-trioneDTXSID5022857Pregn-4-en-17alpha,21-diol-3,11,20-trione17alpha,21-Dihydroxy-4-pregnene-3,11,20-trioneNSC-9703V27W9254FZDTXCID102857
물성
구조 계산 물성보충 중
- XLogP
- 1.5
- 극성 표면적
- 91.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 724
실험 및 물리화학적 성질
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]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
독성 정보
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
안전 데이터
- wgk
- 3
- rtecs
- GM9020000
화학 및 산업
약리 정보
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)
용도 및 제조
UsesCalculated removal (%): 45.8
Use Classification
Pharmaceuticals -> Steroid hormones
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
응용 분야
용도Cortisone is used for inflammatory processes, allergies, and adrenal insufficiency.
일반 설명Cortisone is a corticosteroid produced in the adrenal glands. Cortisone is administered for short term pain relief and to reduce swelling from inflammation. This Certified Spiking Solution is applicable in LC-MS/MS applications for endocrinology, clinical chemistry and neonatal screening.
관련 반응
3건
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