Physicochemical Properties
| Molecular Formula | C75H107N7O20 |
| Molecular Weight | 1426.68700242043 |
| Exact Mass | 1425.757 |
| CAS # | 2375555-66-9 |
| PubChem CID | 146026069 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 5.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 23 |
| Rotatable Bond Count | 23 |
| Heavy Atom Count | 102 |
| Complexity | 2980 |
| Defined Atom Stereocenter Count | 15 |
| SMILES | O(CCOCC1=CN(CCOCCOCCNC2=CC=CC3C(N(C(C=32)=O)C2C(NC(CC2)=O)=O)=O)N=N1)[C@@H]1CC[C@@H](C[C@@H](C)[C@@H]2CC([C@@H](C=C(C)[C@H]([C@H](C([C@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](C[C@@H]3CC[C@@H](C)[C@@](C(C(N4CCCC[C@H]4C(=O)O2)=O)=O)(O)O3)OC)=O)OC)O)C)=O)C[C@H]1OC |c:64,66,t:53,68| |
| InChi Key | XCSUEITWRRFFMN-SJQMKIJVSA-N |
| InChi Code | InChI=1S/C75H107N7O20/c1-45-17-12-11-13-18-46(2)61(94-8)41-54-24-22-51(7)75(93,102-54)69(87)73(91)81-29-15-14-21-58(81)74(92)101-62(42-59(83)47(3)38-50(6)67(86)68(96-10)66(85)49(5)37-45)48(4)39-52-23-26-60(63(40-52)95-9)100-36-35-99-44-53-43-80(79-78-53)30-32-98-34-33-97-31-28-76-56-20-16-19-55-65(56)72(90)82(71(55)89)57-25-27-64(84)77-70(57)88/h11-13,16-20,38,43,45,47-49,51-52,54,57-58,60-63,67-68,76,86,93H,14-15,21-37,39-42,44H2,1-10H3,(H,77,84,88)/b13-11+,17-12+,46-18+,50-38+/t45-,47-,48-,49-,51-,52+,54+,57?,58+,60-,61+,62+,63-,67-,68+,75-/m1/s1 |
| Chemical Name | (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone |
| Synonyms | FKBP12 PROTAC RC32; FKBP12 PROTAC RC32 |
| 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 Vitro | After just 12 hours of treatment, 50% of the protein (DC50) of FKBP12 PROTAC RC32 (RC32; 0.1-1000 nM; 12 hours) is degraded [1]. |
| ln Vivo | In mouse organs treated for just one day, RC32 (RC32; i.p.; 30 mg/kg; twice daily; 1 day) suppresses the FKBP12 protein in all save the brain [1]. (Latoral: 60 mg/kg; twice daily; for a single day) lowers FKBP12 in mice by a considerable amount [1]. In the majority of the organs studied in 20 kg Bama pigs, RC32 (ip injection; 8 mg/kg; twice daily; for 2 days) efficiently breaks down the FKBP12 protein [1]. RC32 (ip injection; 8 mg/kg; twice daily; for 3 days) efficiently breaks down the heart, bone marrow, spleen, |
| Cell Assay |
Western Blot Analysis[1] Cell Types: Jurkat cells Tested Concentrations: 0.1, 1, 10, 100, 1000 nM Incubation Duration: 12 hrs (hours) Experimental Results: After only 12 hrs (hours) of treatment, protein degradation (DC50) was 50%, approximately 0.3 nM. |
| Animal Protocol |
Animal/Disease Models: Male and female mice [1] Doses: 30 mg/kg Route of Administration: IP; FKBP12 in lungs and stomach[1]. Twice a day; 1 day Experimental Results: FKBP12 protein was degraded in most organs of treated mice after only 1 day of treatment. |
| References |
[1]. A chemical approach for global protein knockdown from mice to non-human primates. Cell Discov. 2019 Feb 5;5:10. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~10 mg/mL (~7.01 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 1 mg/mL (0.70 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 + to the above solution and mix evenly; then add 450 μL of 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 | 0.7009 mL | 3.5046 mL | 7.0092 mL | |
| 5 mM | 0.1402 mL | 0.7009 mL | 1.4018 mL | |
| 10 mM | 0.0701 mL | 0.3505 mL | 0.7009 mL |