Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Acoramidis
Acoramidis · 3-(3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy)-4-fluorobenzoic acid · AG10,AG 10 · Acoramidis (AG-10) · AG-10 1446711-81-4 · AG-10, 10 mM in DMSO · Benzoic acid, 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluoro- · 3-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid (ACI)
식별자 및 물리적 특성
| CAS No. | 1446711-81-4 |
|---|---|
| 분자식 | C15H17FN2O3 |
| 평균 분자량 | 292.3 g/mol |
| 단동위원소 질량 | 292.12232057 g/mol |
| SMILES | Cc1n[nH]c(C)c1CCCOc1cc(C(=O)O)ccc1F |
| InChIKey | WBFUHHBPNXWNCC-UHFFFAOYSA-N |
| PubChem CID | 71464713 |
| ChEMBL | CHEMBL3940890 |
| EC No. | 950-296-9 |
| DTXSID | DTXSID501358946 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 75.2 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 356 |
| 용해도 | ≥12 micrograms/mLDMSO: Soluble: =10 mg/mlEthanol: Slightly soluble: 0.1-1 mg/ml |
| Human Drugs | Breast FeedingLactationMilk, HumanEMA approved medicines: Human medicine |
| 끓는 점 | 542.5±50.0 °C(Predicted) |
| 밀도 | 1.282±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 3.98±0.10(Predicted) |
| 물리적 상태 | Solid |
| 색상 | White to off-white |
| InChI | InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20) |
| InChIKey | WBFUHHBPNXWNCC-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(F)C(OCCCC2=C(C)NN=C2C)=C1 |
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%) |
| Hepatotoxicity | In the registration trial of acoramidis, transient mild ALT and AST elevations were not uncommon, but elevations in ALT above 3 times ULN were infrequent and no more common with acoramidis than placebo (0.9% vs 0.5%), most of which were attributed to heart failure or its treatment. No patient required drug discontinuation because of liver test abnormalities and none developed clinically apparent liver injury or elevations in serum aminotransferases accompanied by jaundice. Since its approval, clinical experience with acoramidis has been limited, but there have been no published case reports of clinically apparent liver injury attributed to its use. |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 신호 어 | Warning |
| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315 |