 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C27H22F2N4O |
| Molecular Weight | 456.4866 |
| Exact Mass | 456.176 |
| CAS # | 2172870-89-0 |
| PubChem CID | 134168328 |
| Appearance | White to yellow solid powder |
| LogP | 5.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 34 |
| Complexity | 727 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | FC1C([H])=C(C([H])=C(C=1[H])C1=C([H])N=C2C([H])=C([H])C(C3=C([H])C([H])=C([H])C(C#N)=C3O[H])=C([H])C2=C1N1C([H])([H])C([H])([H])C([H])(C([H])([H])C1([H])[H])N([H])[H])F |
| InChi Key | GHILNKWBALQPDP-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C27H22F2N4O/c28-19-10-18(11-20(29)13-19)24-15-32-25-5-4-16(22-3-1-2-17(14-30)27(22)34)12-23(25)26(24)33-8-6-21(31)7-9-33/h1-5,10-13,15,21,34H,6-9,31H2 |
| Chemical Name | 3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-hydroxybenzonitrile |
| 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
| References |
[1]. Identification of a dose range for once daily oral paltusotine in patients with acromegaly that maintains IGF-1 levels when switching from long-acting somatostatin receptor ligand therapy. Endocrine Abstracts (2021) 73 OC15.4. [2]. Pharmacokinetics and Safety of an Improved Oral Formulation of Paltusotine, a Selective, Non-Peptide Somatostatin Receptor 2 (SST2) Agonist for the Treatment of Acromegaly. Journal of the Endocrine Society, Volume 5, Issue Supplement_1, April-May 2021. [3]. Discovery of Paltusotine (CRN00808), a Potent, Selective, and Orally Bioavailable Non-peptide SST2 Agonist. ACS Med Chem Lett. 2022 Dec 10;14(1):66-74. |
| Additional Infomation |
Paltusotine is under investigation in clinical trial NCT04261712 (A Study to Evaluate the Long-term Safety and Efficacy of Paltusotine for the Treatment of Acromegaly (ACROBAT Advance)). Paltusotine is an orally bioavailable, nonpeptide somatostatin receptor type 2 (SST2; SSTR2) agonist, with potential growth hormone (GH) secretion-inhibiting and antineoplastic activities. Upon oral administration, paltusotine targets, binds to and activates SSTR2, which leads to an inhibition in the secretion of human growth hormone (hGH) in the pituitary gland and results in decreased production of insulin-like growth factor (IGF-1). This may inhibit IGF-1-mediated cell signaling pathways, and lead to apoptosis. SSTR2 is overexpressed by some neuroendocrine tumor cells, and GH is over-produced in the pituitary gland in acromegaly. |
Solubility Data
| Solubility (In Vitro) | DMSO: 20 mg/mL (43.81 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.48 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 2: ≥ 2 mg/mL (4.38 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 20.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1906 mL | 10.9531 mL | 21.9063 mL | |
| 5 mM | 0.4381 mL | 2.1906 mL | 4.3813 mL | |
| 10 mM | 0.2191 mL | 1.0953 mL | 2.1906 mL |