Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Actarit
Orcl · ms932 · Mover · FAM79A · TPRG1L · ACTARIT · Ake him · Aktalin
식별자 및 물리적 특성
| CAS No. | 18699-02-0 |
|---|---|
| 분자식 | C10H11NO3 |
| 평균 분자량 | 193.2 g/mol |
| 단동위원소 질량 | 193.07389321 g/mol |
| SMILES | CC(=O)Nc1ccc(CC(=O)O)cc1 |
| InChIKey | MROJXXOCABQVEF-UHFFFAOYSA-N |
| PubChem CID | 2018 |
| ChEMBL | CHEMBL1885632 |
| ChEBI | CHEBI:31173 |
| EC No. | 242-511-3 |
| DTXSID | DTXSID0020020 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 66.4 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 219 |
| 의약품 | Pharmaceuticals -> Metabolite of Mirabegron |
| 용해도 | >29 [ug/mL] (The mean of the results at pH 7.4)DMSO, 에탄올, 메탄올 에 용해됨 |
| Collision Cross Section | 143.5 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0020020] |
| 녹는점 | 173-175°C |
| 끓는 점 | 449.1±28.0 °C(Predicted) |
| 밀도 | 1.288±0.06 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 4.34±0.10(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| Merck | 14,133 |
화학적 성질
Crystalline Solid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| RTECS 번호 | CY1542000 |
| 독성 | LD50 in male, female mice, male, female rats (mg/kg): 1.06, 1.30, 1.95, 2.03 i.p.5.68, 5.48, 5.48, 6.12 s.c.15.3, 14.7, 14.8, 15.4 orally (Toshida) |
| 관세 코드 | 29163990 |
| 안전 문구(S) | 24/25 |
용도
개요
Actarit is an orally administered disease-modifying antirheumatic drug launched in Japan. Although its structure resembles that of non-steroidal anti-inflammatory drugs, it has no effect on experimental acute inflammation and has no analgesic or antipyretic effects. Its preventative and therapeutic effects on adjuvant arthritis are mediated via modulation of production and serum level of interleukin-2 which enhances production of suppressor T-cells to the immune system, thereby, preventing development of articular lesions.
용도
Antiarthritic