Methazolamide
CL 8490 · Neptaza · L 584601 · Naptazane · Neptazane · Methenamide · Neptazaneat · Methazolamid
식별자 및 물리적 특성
| CAS No. | 1164547-86-7 |
|---|---|
| 분자식 | C5H8N4O3S2 |
| 평균 분자량 | 236.3 g/mol |
| 단동위원소 질량 | 236.00378248 g/mol |
| SMILES | CC(=O)N=c1sc(S(N)(=O)=O)nn1C |
| InChIKey | FLOSMHQXBMRNHR-UHFFFAOYSA-N |
| PubChem CID | 4100 |
| ChEMBL | CHEMBL19 |
| ChEBI | CHEBI:6822 |
| DTXSID | DTXSID1023281 |
화학 및 물리적 성질
| XLogP | 0.1 |
|---|---|
| 극성 표면적 | 139 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 419 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| LogP(분배 계수) | 0.13 |
| 용해도 | >35.4 [ug/mL] (The mean of the results at pH 7.4)DMSO: 용해성20mg/mL, 투명 |
| Human Drugs | Pharmaceuticals |
| Dissociation Constants | 7.30 |
| Collision Cross Section | 144.86 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 208 °C (dec.) (lit.) |
| 끓는 점 | 402.0±28.0 °C(Predicted) |
| 밀도 | 1.6625 (rough estimate) |
| 굴절률 | 1.6270 (estimate) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 백색분말 |
| pKa(산도 계수) | 7.30(at 25℃) |
| 색상 | 흰색에서 베이지색 |
| 용해도 | 2.835g/L(25 ºC) |
| InChI | InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12) |
| InChIKey | FLOSMHQXBMRNHR-QPJJXVBHSA-N |
| SMILES | C(N=C1N(C)N=C(S(N)(=O)=O)S1)(=O)C |
| NIST | Methazolamide(554-57-4) |
| EPA | Acetamide, N-[5-(aminosulfonyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]- (554-57-4) |
화학적 성질
White Solid
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| RTECS 번호 | AC6350000 |
| 관세 코드 | 2935904000 |
| 위험 문구(R) | 20/21/22-40 |
| 위험 표시 | Xn |
| 안전 문구(S) | 22-36 |
| 위험 등급 | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2 |
| 저장 분류 | 11 - Combustible Solids |
| 유해 물질 데이터 | 554-57-4(Hazardous Substances Data) |
용도
개요
Methazolamide is a carbonic anhydrase inhibitor (IC50 = 130 nM). It reduces intraocular pressure and cerebrospinal fluid flow in a rat model of glaucoma. Methazolamide reduces electroshock-induced seizures in rats with an ED50 value of 19.2 mg/kg. It also inhibits production of reactive oxygen species (ROS) in a primary cortical neuron (PCN) cellular model of subarachnoid hemorrhage (SAH) and reduces cerebral edema in a mouse model of SAH. Methazolamide is larvicidal, with a larvicidal concentration (LC50) value of 724 ppm, but has no activity when administered in the diet to adult A. aegypti. Formulations containing methazolamide have been used for the treatment of glaucoma.
용도
Methazolamide is a carbonic anhydrase inhibitor. Methazolamide is used in the treatment of glaucoma.