Physicochemical Properties
| Molecular Formula | C67H99N13O18S3 |
| Molecular Weight | 1470.77 |
| Exact Mass | 1469.639 |
| CAS # | 2581741-18-4 |
| Related CAS # | FAP-2286 acetate |
| PubChem CID | 163408889 |
| Appearance | White to off-white solid powder |
| LogP | -8.1 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 25 |
| Rotatable Bond Count | 25 |
| Heavy Atom Count | 101 |
| Complexity | 2760 |
| Defined Atom Stereocenter Count | 8 |
| SMILES | CCCCCC(=O)N[C@H]1CSCC2=CC(=CC(=C2)CSCCNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)O)CC(=O)O)CC(=O)O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C1=O)[C@@H](C)O)CCC(=O)N)CC6=CC=CC=C6)C(=O)O |
| InChi Key | UHKLVUPDBJFFBB-ZCDGVBLYSA-N |
| InChi Code | InChI=1S/C67H99N13O18S3/c1-3-4-6-15-55(83)70-50-41-100-39-46-30-45(38-99-29-18-69-56(84)34-75-21-23-76(35-57(85)86)25-27-78(37-59(89)90)28-26-77(24-22-75)36-58(87)88)31-47(32-46)40-101-42-51(67(97)98)73-62(92)49(33-44-11-7-5-8-12-44)72-61(91)48(16-17-54(68)82)71-64(94)60(43(2)81)74-63(93)52-13-9-19-79(52)66(96)53-14-10-20-80(53)65(50)95/h5,7-8,11-12,30-32,43,48-53,60,81H,3-4,6,9-10,13-29,33-42H2,1-2H3,(H2,68,82)(H,69,84)(H,70,83)(H,71,94)(H,72,91)(H,73,92)(H,74,93)(H,85,86)(H,87,88)(H,89,90)(H,97,98)/t43-,48+,49+,50+,51+,52+,53+,60+/m1/s1 |
| Chemical Name | (5R,11S,17S,20S,23S,26S,29R)-23-(3-amino-3-oxopropyl)-26-benzyl-5-(hexanoylamino)-20-[(1R)-1-hydroxyethyl]-6,12,18,21,24,27-hexaoxo-35-[2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethylsulfanylmethyl]-3,31-dithia-7,13,19,22,25,28-hexazatetracyclo[31.3.1.07,11.013,17]heptatriaconta-1(37),33,35-triene-29-carboxylic 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 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 Vitro | The human WI-38 fibroblast-like fetal lung line is less susceptible to the binding of fluorophore-labeled competing peptides when FAP-2286 (0.1-30 nM, 1 hour) is applied [1]. In HEK-FAP cells, FAP-2286 (5 nM, 1, 3, 8, 24, and 72 hours) allows for extended tumor retention and inhibition [1]. |
| ln Vivo | In the HEK-FAP tumor transplant model, FAP-2286 (30 MBq/nmol, injected intravenously) accumulates steadily [1]. |
| Animal Protocol |
Animal/Disease Models: HEK-FAP tumor-bearing mice[1] Doses: 30 MBq/nmol Route of Administration: intravenous (iv) (iv)injection Experimental Results: Tumor to kidney (T/K) ratio increased, with the highest differential uptake obtained 48 hrs (hrs (hours)) after injection 7.5 T/K. The cumulative dose was maintained at 10.8 ID/g 3 hrs (hrs (hours)) after injection. |
| References |
[1]. Comparative Biodistribution and Radiotherapeutic Efficacy of the Fibroblast Activation Protein (FAP)–Targeting Agents FAP-2286 and FAPI-46. [2]. Feasibility, Biodistribution, and Preliminary Dosimetry in Peptide-Targeted Radionuclide Therapy of Diverse Adenocarcinomas Using 177 Lu-FAP-2286: First-in-Humans Results. J Nucl Med. 2022 Mar;63(3):415-423. [3]. Preclinical evaluation of FAP-2286 for fibroblast activation protein targeted radionuclide imaging and therapy. Eur J Nucl Med Mol Imaging. 2022;49(11):3651-3667. [4]. PET Imaging of Fibroblast Activation Protein in Various Types of Cancer Using 68Ga-FAP-2286: Comparison with 18F-FDG and 68Ga-FAPI-46 in a Single-Center, Prospective Study. J Nucl Med. 2023;64(3):386-394. [5]. Preclinical evaluation of FAP-2286 for fibroblast activation protein targeted radionuclide imaging and therapy. Eur J Nucl Med Mol Imaging. 2022 Sep;49(11):3651-3667. |
Solubility Data
| Solubility (In Vitro) | H2O : ≥ 100 mg/mL (~67.99 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 50 mg/mL (34.00 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.6799 mL | 3.3996 mL | 6.7992 mL | |
| 5 mM | 0.1360 mL | 0.6799 mL | 1.3598 mL | |
| 10 mM | 0.0680 mL | 0.3400 mL | 0.6799 mL |