 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C19H29CLN2O3 |
| Molecular Weight | 368.898164510727 |
| Exact Mass | 368.186 |
| CAS # | 2162149-24-6 |
| Related CAS # | Sonlicromanol;1541170-75-5 |
| PubChem CID | 72710874 |
| Appearance | White to yellow solid powder |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 25 |
| Complexity | 472 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | Cl.O1C2C(C)=C(C)C(=C(C)C=2CC[C@@]1(C)C(N[C@H]1CNCCC1)=O)O |
| InChi Key | HVFWCHDZDIRYBZ-MQZJHDQISA-N |
| InChi Code | InChI=1S/C19H28N2O3.ClH/c1-11-12(2)17-15(13(3)16(11)22)7-8-19(4,24-17)18(23)21-14-6-5-9-20-10-14;/h14,20,22H,5-10H2,1-4H3,(H,21,23);1H/t14-,19+;/m1./s1 |
| Chemical Name | (2S)-6-hydroxy-2,5,7,8-tetramethyl-N-[(3R)-piperidin-3-yl]-3,4-dihydrochromene-2-carboxamide;hydrochloride |
| 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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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
| ln Vivo | Ndufs4−/− mice's brains retain microstructural coherence when sonlicromanol (KH176) hydrochloride is administered[1]. |
| Animal Protocol |
Animal/Disease Models: Ndufs4−/− mice (Leigh Disease model)[1]. Doses: 10 mg/kg. Route of Administration: IP, daily (PD14-PD45, 32 days). Experimental Results: Dramatically improve rotarod and gait performance and decreased the degeneration of retinal ganglion cells. Resulted in statistically Dramatically higher FA values in the external capsule and a similar trend was found in the cerebral peduncle. |
| References |
[1]. Therapeutic effects of the mitochondrial ROS-redox modulator KH176 in a mammalian model of Leigh Disease. Sci Rep. 2017 Sep 15;7(1):11733. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 170 mg/mL (460.83 mM) H2O: ≥ 100 mg/mL (271.08 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (13.55 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 50.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: ≥ 4.25 mg/mL (11.52 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 42.5 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 3: ≥ 4.25 mg/mL (11.52 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 42.5 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 | 2.7108 mL | 13.5538 mL | 27.1076 mL | |
| 5 mM | 0.5422 mL | 2.7108 mL | 5.4215 mL | |
| 10 mM | 0.2711 mL | 1.3554 mL | 2.7108 mL |