Physicochemical Properties
| Molecular Formula | C22H25N3O2 |
| Molecular Weight | 363.45 |
| Exact Mass | 363.194 |
| Elemental Analysis | C, 72.70; H, 6.93; N, 11.56; O, 8.80 |
| CAS # | 1428652-17-8 |
| Related CAS # | (S)-Baxdrostat;1428652-16-7;(Rac)-Baxdrostat;1428652-15-6 |
| PubChem CID | 71535962 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 27 |
| Complexity | 566 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C(N[C@H]1C2=C(CCC1)C(C1C=CC3=C(C=1)CCC(=O)N3C)=CN=C2)(=O)CC |
| InChi Key | VDEUDSRUMNAXJG-LJQANCHMSA-N |
| InChi Code | 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 |
| Chemical Name | N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide |
| Synonyms | CIN-107; CIN107; CIN 107 |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | Aldosterone synthase[1]; Baxdrostat is a selective aldosterone synthase (CYP11B2) inhibitor. |
| ln Vivo |
In healthy volunteers, baxdrostat showed dose-dependent reductions in plasma aldosterone levels (up to ~70% at 3 mg/day) without affecting cortisol levels, confirming its selectivity for CYP11B2 over CYP11B1 (cortisol synthase) [1] In patients with resistant hypertension, baxdrostat (1 mg, 2 mg, or 10 mg daily) significantly reduced systolic blood pressure (placebo-adjusted reductions up to 11.0 mmHg at 10 mg) [2] |
| ADME/Pharmacokinetics |
Phase 1 studies in healthy volunteers indicated baxdrostat had linear pharmacokinetics across doses (0.5–10 mg), with median Tmax of 2–4 hours and mean half-life of ~15–20 hours [1] A crossover study showed no significant pharmacokinetic interaction between baxdrostat and metformin [3] |
| Toxicity/Toxicokinetics |
Baxdrostat was well tolerated in healthy volunteers and resistant hypertension patients, with no severe adverse events reported. Mild hyperkalemia was observed in some patients [1][2] |
| References |
[1]. Results from a phase 1, randomized, double-blind, multiple ascending dose study characterizing the pharmacokinetics and demonstrating the safety and selectivity of the aldosterone synthase inhibitor baxdrostat in healthy volunteers. Hypertens Res. 2023 Jan;46(1):108-118. [2]. The selective aldosterone synthase inhibitor Baxdrostat significantly lowers blood pressure in patients with resistant hypertension. Front Endocrinol (Lausanne). 2022 Dec 9;13:1097968. [3]. Results From a Randomized, Open-Label, Crossover Study Evaluating the Effect of the Aldosterone Synthase Inhibitor Baxdrostat on the Pharmacokinetics of Metformin in Healthy Human Subjects. Am J Cardiovasc Drugs. 2023 May;23(3):277-286. |
| Additional Infomation |
Baxdrostat is under investigation for resistant hypertension by targeting aldosterone overproduction. Its selectivity for CYP11B2 avoids cortisol deficiency risks [1][2] |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (275.14 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.72 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.72 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7514 mL | 13.7571 mL | 27.5141 mL | |
| 5 mM | 0.5503 mL | 2.7514 mL | 5.5028 mL | |
| 10 mM | 0.2751 mL | 1.3757 mL | 2.7514 mL |