Isradipine
Iomir · Lomir · Presca · CS-139 · Prescal · Esradin · Rebfiden · Clivoten
식별자 및 물리적 특성
| CAS No. | 75695-93-1 |
|---|---|
| 분자식 | C19H21N3O5 |
| 평균 분자량 | 371.4 g/mol |
| 단동위원소 질량 | 371.14812078 g/mol |
| SMILES | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12 |
| InChIKey | HMJIYCCIJYRONP-UHFFFAOYSA-N |
| PubChem CID | 3784 |
| ChEMBL | CHEMBL1648 |
| ChEBI | CHEBI:6073 |
| EC No. | 630-420-5 |
| DTXSID | DTXSID4023179 |
화학 및 물리적 성질
| XLogP | 4.3 |
|---|---|
| 극성 표면적 | 104 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 27 |
| 형식 전하 | 0 |
| 복잡도 | 685 |
| LogP(분배 계수) | 4.282.901 |
| 용해도 | Practically insoluble (< 10 mg/L at 37 °C)2.28e-01 g/LDMSO: ~26mg/mL |
| 녹는점 | 168-170 °C168 - 170 °C166-1680C |
| Physical Description | Solid |
| Kovats Retention Index | 2578.89 |
| 끓는 점 | 501.9±60.0 °C(Predicted) |
| 밀도 | 1.249±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 2.56±0.70(Predicted) |
| 색상 | 노란색 |
| Merck | 14,5240 |
| BCS Class | 2/4 |
| 안정성 | 공급된 대로 구매일로부터 2년 동안 안정적입니다. 습기로부터 보호하십시오. DMSO 또는 에탄올 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다. |
| 주요 응용 | 의약품(소분자) |
| InChI | InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3 |
| InChIKey | HMJIYCCIJYRONP-UHFFFAOYSA-N |
| SMILES | C1(C)NC(C)=C(C(OC(C)C)=O)C(C2C3C(C=CC=2)=NON=3)C=1C(OC)=O |
| NIST | Isradipine(75695-93-1) |
화학적 성질
Yellow Solid
안전 및 규제
| GHS 분류 | DangerH301 (98%): Toxic if swallowed [Danger Acute toxicity, oral]H319 (92.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H372 (92.2%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]H400 (98%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (98%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P260, P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P319, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (98%)Eye Irrit. 2 (92.2%)STOT RE 1 (92.2%)Aquatic Acute 1 (98%)Aquatic Chronic 1 (98%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)IsradipinevLess-DILI-concern3Adverse reactionsDOI:10.1016/j.drudis.2016.02.015 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during LactationBecause no information is available on the use of isradipine during breastfeeding, an alternate drug may be preferred.◉ Effects in Breastfed InfantsRelevant published information was not found as of the revision date.◉ Effects on Lactation and Breastmilk |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 |
용도
개요
Isradipine is a long-acting calcium blocker effective in the treatment of essential hypertension. The advantages of isradipine as compared with other dihydropyridine calcium antagonists include a "gentle" onset and fewer contraindications. It can be taken by patients with diabetes mellitus, chronic obstructive airway diseases, gout, congestive heart failure or ischemic heart disease.
용도
Isradipine is a L-type calcium channel blocker, Isradipine has anti-atherosclerotic effects in animals and improves endothelium-mediated nitric oxide (NO)-dependent vasodilation in vitro. Additional studies indicate that Isradipine may provide a neuroprotective effect in a rat model of focal ischemia and that Isradipine produces a dose-dependent sparing of dopamine neuronal fibers and cell bodies.
일반 설명
Isradipine, 4-(4-benzofuranazyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinecarboxylic acid methyl 1-methylethyl ester (DynaCirc), is another second-generationdihydropyridine-type channel blocker. This drug, like theother second-generation analogs, is more selective for vascularsmooth muscle than for myocardial tissue. It is effectivein the treatment of stable angina, reducing the frequencyof anginal attacks and the need to use nitroglycerin.