메틸프레드니솔론아세포네이트
메틸프레드니솔론아세포네이트 · Advantan · SH-440 · ZK-91588 · ZK-91-588 · Aceponate · ZK-91588：SH-440 · Prednisolone Impurity 21
식별자 및 물리적 특성
| CAS No. | 86401-95-8 |
|---|---|
| 분자식 | C27H36O7 |
| 평균 분자량 | 472.6 g/mol |
| 단동위원소 질량 | 472.24610349 g/mol |
| SMILES | CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C |
| InChIKey | DALKLAYLIPSCQL-YPYQNWSCSA-N |
| PubChem CID | 63019 |
| ChEMBL | CHEMBL1697782 |
| ChEBI | CHEBI:135762 |
| EC No. | 658-084-5 |
| DTXSID | DTXSID2023301 |
| 현지명 | 메틸프레드니솔론아세포네이트 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 107 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 34 |
| 형식 전하 | 0 |
| 복잡도 | 979 |
| 녹는점 | 105 - 108°C |
| 끓는 점 | 595.8±50.0 °C(Predicted) |
| 밀도 | 1.23±0.1 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 디옥산(약간 용해됨), DMSO(약간 용해됨), 아세트산에틸(약간 용해됨) |
| pKa(산도 계수) | 14.05±0.70(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| InChIKey | DALKLAYLIPSCQL-TXWHWSFMNA-N |
| SMILES | O(C(CC)=O)[C@]1(C(COC(C)=O)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)O)=O |&1:5,15,16,18,25,27,28,30,r| |
안전 및 규제
| GHS 분류 | DangerH360 (96.4%): May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P260, P264, P270, P280, P318, P319, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 28 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] |
|---|---|
| Hazard Classes and Categories | Repr. 1A (96.4%)Repr. 2 (100%) |
| 신호 어 | Warning |
| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H361 |
용도
개요
Methylprednisolone aceponate (MPA) is a new potent topical corticosteroid. Chemically, it is a corticosteroid diester that penetrates the skin rapidly. It is rapidly metabolised and then conjugated, so although potent, it does not appear to cause serious local or systemic side effects. Clinical trials have shown that once daily use is sufficient to control most eczematous conditions and is also appropriate and effective in atopic dermatitis. MPA is effective in the treatment of facial and scalp eczema and sunburn and has shown promising results in the treatment of psoriasis. MPA is also suitable for use in children and infants. MPA is available in a wide range of formulations (0.1%) including creams, ointments, fat ointments, lotions and solutions depending on the patient's individual condition.
용도
Methylprednisolone aceponate used in treatment of seborrhoeic dermatitis includes topical treatments such as corticosteroids, antifungals, metronidazole and pimecrolimus.