Introduction：Basic information about CAS 82768-85-2|CI928, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | CI928 |
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| CAS Number | 82768-85-2 | Molecular Weight | 410.46300 |
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| Density | 1.289 g/cm3 | Boiling Point | 674.5ºC at 760 mmHg |
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| Molecular Formula | C23H26N2O5 | Melting Point | 166-168ºC |
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| MSDS | ChineseUSA | Flash Point | 361.7ºC |
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Names
| Name | quinaprilat hydrate |
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| Synonym | More Synonyms |
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CI928 BiologicalActivity
| Description | Quinaprilat is an orally active non-mercapto Angiotensin Converting Enzyme (ACE) inhibitor, the active metabolite of Quinapril. Quinaprilat specifically blocks the conversion of angiotensin I to the vasoconstrictor angiotensin II and inhibits the degradation of bradykinin. Quinaprilat acts as anti-hypertensive agent and vasodilator[1][2]. |
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| Related Catalog | Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Metabolic Enzyme/Protease >>Angiotensin-converting Enzyme (ACE) |
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| In Vitro | Quinaprilat (5 μM) mediates the interaction of organic anion transporter 3 (hOAT3) which can promote renal active secretion of quinapril that increases uptake of quinaprilat to 25-fold in HEK293 cells and hOAT3 affinity Km for quinaprilat is 13.4 μM[1]. Quinaprilat (100 nM, 20 min) can inhibit the activity of protein kinase C (PKC) by activing the B1 receptor resulting in the release of NO in human lung microvascular endothelial (HLMVE) cells[2]. |
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| References | [1]. Haodan Yuan, et al. Renal organic anion transporter-mediated drug-drug interaction between gemcabene and quinapril. J Pharmacol Exp Ther. 2009 Jul;330(1):191-7. doi: 10.1124/jpet.108.149476. Epub 2009 Apr 6. [2]. Sinisa Stanisavljevic, et al. Angiotensin I-converting enzyme inhibitors block protein kinase C epsilon by activating bradykinin B1 receptors in human endothelial cells. J Pharmacol Exp Ther. 2006 Mar;316(3):1153-8. |
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Chemical & Physical Properties
| Density | 1.289 g/cm3 |
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| Boiling Point | 674.5ºC at 760 mmHg |
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| Melting Point | 166-168ºC |
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| Molecular Formula | C23H26N2O5 |
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| Molecular Weight | 410.46300 |
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| Flash Point | 361.7ºC |
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| Exact Mass | 410.18400 |
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| PSA | 106.94000 |
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| LogP | 2.41740 |
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| InChIKey | FLSLEGPOVLMJMN-YSSFQJQWSA-N |
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| SMILES | CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2CC1C(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NW7160900
- CHEMICAL NAME :
- 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(2-((1-carboxy-3-phenylpropyl)am ino)-1- oxopropyl)-, (3S-(2(R*(R*)),3R*))-
- CAS REGISTRY NUMBER :
- 82768-85-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C23-H26-N2-O5
- MOLECULAR WEIGHT :
- 410.51
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANGIAB Angiology. (Angiology Research Found., Inc., 320 Northern Blvd., Great Neck, NY 11021) V.1- 1950- Volume(issue)/page/year: 40,335,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANGIAB Angiology. (Angiology Research Found., Inc., 320 Northern Blvd., Great Neck, NY 11021) V.1- 1950- Volume(issue)/page/year: 40,335,1989
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Safety Information
| RIDADR | NONH for all modes of transport |
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Synonyms
| (3S)-2-[(S)-2-[[(S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
| quinapril diacid |
| ci928 |
| (3s-(2(r*(r*)),3r*))-yl)amino)-1-oxopropyl) |
| (3S)-2-[(S)-2-[[(S)-1-Carboxy-3-phenylpropyl]amino]propionyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
| [3S-[2[R*(R*)],3R*]]-2[2-[[1-(carboxy)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid |
| CI-92 |
| 3-Isoquinolinecarboxylic acid,2-(2S)-2-(1S)-1-carboxy-3-phenylpropylamino-1-oxopropyl-1,2,3,4-tetrahydro-,(3S) |
| 3-isoquinolinecarboxylicacid,1,2,3,4-tetrahydro-2-(2-((1-carboxy-3-phenylprop |
| quinaprilate |
| (3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid |
