Baxdrostat (CIN-107) CAS#: 1428652-17-8; ChemWhat Code: 1417563
Identification
| Product Name | Baxdrostat (CIN-107) |
| IUPAC Name | N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide |
| Molecular Structure |  |
| CAS Registry Number | 1428652-17-8 |
| Synonyms | Baxdrostat Baxdrostat [INN] NF3P9Z8J5Y 1428652-17-8 UNII-NF3P9Z8J5Y (+)-(R)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide N-((8R)-5,6,7,8-Tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)-8-isoquinolinyl)propanamide Propanamide, N-((8R)-5,6,7,8-tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)-8-isoquinolinyl)- CIN107 CHEMBL4113975 SCHEMBL14799753 GTPL12362 CIN-107 BDBM233806 GLXC-26998 MS-25786 HY-132809 RO6836191 CS-0204056 G18370 US9353081, 3-1 N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide |
| Molecular Formula | C22H25N3O2 |
| Molecular Weight | 363.5 |
| InChI | InChI=1S/C22H25N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h7,9,11-13,19H,3-6,8,10H2,1-2H3,(H,24,26)/t19-/m1/s1 |
| InChI Key | VDEUDSRUMNAXJG-LJQANCHMSA-N |
| Isomeric SMILES | CCC(=O)N[C@@H]1CCCC2=C1C=NC=C2C3=CC4=C(C=C3)N(C(=O)CC4)C |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2013/79365 | NEW BICYCLIC DIHYDROQUINOLINE-2-ONE DERIVATIVES | 2013 |
| WO2013/41591 | NEW BICYCLIC DIHYDROQUINOLINE-2-ONE DERIVATIVES | 2013 |
Physical Data
| Appearance | Solid |
Spectra
No data available
Route of Synthesis (ROS)
| Conditions | Yield |
| With Chiralpak AD In n-heptane; isopropyl alcohol Resolution of racemate; Experimental Procedure 2; 3 (-)-(R or S)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide and (+)-(S or R)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide (-)-(R or S)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide and (+)-(S or R)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide[0447][0448]The title compounds were prepared by chiral separation of (rac)-N-(4-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide (example 1) on a Chiralpak AD (40% 2-propanol in n-heptane) to give after precipitation from CH2Cl2 with n-pentane 28% of (-)-(R or S)-N-(4-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide (example 2) as off-white powder, MS: 364.2 (M+H+) and 26% of (+)-(S or R)-N-(4-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide (example 3) as off-white powder. MS: 364.2 (M+H+). | A 28% B 26% |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Warning |
| GHS Hazard Statements | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H361d (100%): Suspected of damaging the unborn child [Warning Reproductive toxicity] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] |
| Precautionary Statement Codes | P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| HS Code | |
| Storage | Under room temperature away from light |
| Shelf Life | 2 years |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 363.459 |
| logP | 2.309 |
| HBA | 5 |
| HBD | 1 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 62.3 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Baxdrostat (CIN-107) is an aldosterone synthase inhibitor (ASI) intended for antihypertensive treatment in refractory hypertension. It directly inhibits the synthesis of aldosterone, contributing to its blood pressure-lowering effects. |
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Approved Manufacturers | |
| Caming Pharmaceutical Limited | http://www.caming.com/ |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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