9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
기본 정보
- CAS
2990-65-0- 표준 SMILES
CC1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]2(C)[C@@]1(O)C(=O)CO- InChIKey
UREBDLICKHMUKA-IVVBZYGOSA-N- 분자식
- C22H29FO5
- 평균 분자량
- 392.5 g/mol
- 단동위원소 질량
- 392.19990218
개요
An anti-inflammatory 9-fluoro-glucocorticoid. [PubChem]
이름 및 식별자
- 우선 이름
- 9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
- IUPAC
- (8S,9R,10S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
이름 및 동의어
2990-65-0DTXSID80915329-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dioneRefChem:1074977DTXCID6065218(8S,9R,10S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one9-?Fluoro-?11,?17,?21-?trihydroxy-?16-?methylpregna-?1,?4-?diene-?3,?20-?dioneSCHEMBL600040
데이터베이스 식별자
- CAS
2990-65-0- PubChem CID
- 21140858
- DTXSID
DTXSID8091532
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 805
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Exposure Routes80-90%
Toxicity Summary
Dexamethasone is a glucocorticoid agonist. Unbound dexamethasone crosses cell membranes and binds with high affinity to specific cytoplasmic glucocorticoid receptors. This complex binds to DNA elements (glucocorticoid response elements) which results in a modification of transcription and, hence, protein synthesis in order to achieve 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 dexamethasone are thought to involve phospholipase A<sub>2</sub> inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity Data
Oral, rat LD<sub>50</sub>: >3 gm/kg. Signs of overdose include retinal toxicity, glaucoma, subcapsular cataract, gastrointestinal bleeding, pancreatitis, aseptic bone necrosis, osteoporosis, myopathies, obesity, edemas, hypertension, proteinuria, diabetes, sleep disturbances, psychiatric syndromes, delayed wound healing, atrophy and fragility of the skin, ecchymosis, and pseudotumor cerebri.
화학 및 산업
약리 정보
Metabolism/MetabolitesHepatic.
용도 및 제조
Uses
<B>Injection:</B> for the treatment of endocrine disorders, rheumatic D=disorders, collagen diseases, dermatologic diseases, allergic statesc, ophthalmic diseases, gastrointestinal diseases, respiratory diseases, hematologic disorders, neoplastic diseases, edematous states, cerebral edema. <br><B>Ophthalmic ointment and solution:</B> for the treatment of steroid responsive inflammatory conditions of the palpebral and bulbar conjunctiva, cornea, and anterior segment of the globe. <br><B>Ophthalmic solution only:</B> for the treatment of steroid responsive inflammatory conditions of the external auditory meatus <br><B>Topic cream:</B> for relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses <br><B>Oral aerosol:</B> for the treatment of bronchial asthma and related corticosteroid responsive bronchospastic states intractable to adequate trial of conventional therapy <br><B>Intranasal aerosol:</B> for the treatment of allergic ot inflammatory nasal conditions, and nasal polyps
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