Physicochemical Properties
| Molecular Formula | C23H38O5 |
| Molecular Weight | 394.54500 |
| Exact Mass | 394.272 |
| CAS # | 60696-62-0 |
| PubChem CID | 158738 |
| Appearance | White to off-white solid powder |
| LogP | 3.058 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 28 |
| Complexity | 622 |
| Defined Atom Stereocenter Count | 11 |
| SMILES | C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChi Key | SHUYNJFEXPRUGR-RTCCEZQESA-N |
| InChi Code | InChI=1S/C23H38O5/c1-12(8-20(27)28)15-4-5-16-21-17(11-19(26)23(15,16)3)22(2)7-6-14(24)9-13(22)10-18(21)25/h12-19,21,24-26H,4-11H2,1-3H3,(H,27,28)/t12-,13+,14-,15-,16+,17+,18-,19+,21+,22+,23-/m1/s1 |
| Chemical Name | (3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid |
| 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
| ln Vivo | Norcholic Acid (6.4 g/L; wall; 24 hours) demonstrates that an average of 40% of the variation may be retrieved from the matrix within the first 24 hours [1]. Norcholic Acid is effectively absorbed from the destruction and promptly eliminated |
| Animal Protocol |
Animal/Disease Models: Male Wistar rat (100~150g) Doses: 6.4 g/L Route of Administration: Po Experimental Results: demonstrated that an average of 40% of the administered radioactivity was recovered from the feces during processing Recycle. The first 24 hrs (hrs (hours)). |
| References |
[1]. Intestinal absorption and metabolism of norcholic acid in rats. J Pharmacobiodyn. 1985;8(7):557-563. |
| Additional Infomation | Norcholic acid is a bile acid. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~253.46 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.34 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 25.0 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: ≥ 2.5 mg/mL (6.34 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 25.0 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.34 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5345 mL | 12.6727 mL | 25.3453 mL | |
| 5 mM | 0.5069 mL | 2.5345 mL | 5.0691 mL | |
| 10 mM | 0.2535 mL | 1.2673 mL | 2.5345 mL |