CID 6992028
ALTACE · RaMipril API · Ramipri · Triatec · TRITACE · (2s-(1(r*(r*)),2-alpha,3a-beta,6a-beta))-henylpropyl)amino)-1-oxopropyl · 2-[[1-(2-ethoxycarbonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid · DELIX
식별자 및 물리적 특성
| CAS No. | 87333-19-5 |
|---|---|
| 분자식 | C23H32N2O5 |
| 평균 분자량 | 416.5 g/mol |
| 단동위원소 질량 | 416.23112213 g/mol |
| SMILES | CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 |
| InChIKey | HDACQVRGBOVJII-JBDAPHQKSA-N |
| PubChem CID | 6992028 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 103 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 30 |
| 형식 전하 | 0 |
| 복잡도 | 613 |
| LogP(분배 계수) | 2.9 |
| 용해도 | 3.5mg/L3.90e-02 g/LDMSO: ~18mg/mL |
| 녹는점 | 109 °C106-108°C |
| Physical Description | Solid |
| 끓는 점 | 616.2±55.0 °C(Predicted) |
| 밀도 | 1.200±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | pKa 3.30±0.01(H2O t = 25.0 I = 0.15 (KCl)) (Uncertain)5.75±0.00(H2O t = 25.0 I = 0.15 (KCl)) (Uncertain) |
| 물리적 상태 | 가루 |
| 색상 | 하얀색 |
| 생물학적 소스 | synthetic (organic) |
| BCS Class | 1 |
| InChIKey | HDACQVRGBOVJII-JBDAPHQKSA-N |
| SMILES | N1(C(=O)[C@@H](N[C@H](C(OCC)=O)CCC2=CC=CC=C2)C)[C@H](C(O)=O)C[C@]2([H])CCC[C@]12[H] |
화학적 성질
White Solid
안전 및 규제
| 수질 위해 등급(WGK) | 2 |
|---|---|
| RTECS 번호 | GY5879600 |
| 독성 | LD50 (14 day) in male, female mice, male, female rats (mg/kg): 1194, 1158, 687, 608 i.v.10933, 10048, >10000, >10000 orally (Donaubauer, Mayer) |
| 관세 코드 | 2933995300 |
| 위험 문구(R) | 36/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
| 위험 등급 | Repr. 1B |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| 유해 물질 데이터 | 87333-19-5(Hazardous Substances Data) |
용도
개요
Ramipril, a prodrug of ramiprilat, is a long-acting, tissue-specific and non-sulfhydryl ACE inhibitor useful in the treatment of mild to moderate hypertension. In animal studies ramipril exerted cardioprotective effects resembling those of bradykinin in cardiac reperfusion injuries. Ramipril is also reportedly useful in congestive heart failure.
용도
Angiotensin-converting enzyme (ACE) removes the C-terminal dipeptide from angiotensin I to form angiotensin II, a powerful vasoconstrictor. ACE is a key regulator of the renin-angiotensin system and an important drug target for the treatment of hypertension, congestive heart failure, and heart attacks, and also in preventing renal and retinal complications in diabetes. Ramipril is a second generation ACE inhibitor (IC50 = 4 nM) that acts as a prodrug, which is hydrolyzed in vivo to the active metabolite ramiprilat. The antihypertensive and cardioprotective efficacy of ramipril has been demonstrated in large-scale noncomparative studies and clinical trials.[Cayman Chemical]
일반 설명
Ramipril, (2S, 3aS, 6aS)-1-[(S)-N-[(S)-1-carboxy-3-phenylpropyl]alanyl]octahydrocyclopenta[b]-pyrrole-2-carboxylic acid 1-ethyl ester (Altace), ishydrolyzed to ramiprilat, its active diacid form, faster thanenalapril is hydrolyzed to its active diacid form. Peak serumconcentrations from a single oral dose are achieved between1.5 and 3 hours. The ramiprilate formed completely suppresses ACE activity for up to 12 hours, with 80% inhibitionof the enzyme still observed after 24 hours.