Physicochemical Properties
| Molecular Formula | C53H59CLF3N6O10PS3 |
| Molecular Weight | 1159.68674015999 |
| Exact Mass | 1158.283 |
| CAS # | 2271269-01-1 |
| PubChem CID | 147562879 |
| Appearance | White to light yellow solid powder |
| LogP | 7.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 20 |
| Heavy Atom Count | 77 |
| Complexity | 2160 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | N1(C(C)C)C(C2=CC=C(Cl)C=C2)=C(C2=CC=CC(N3CCN(C4=CC=C(NS(C5=CC=C(N[C@@H](CSC6=CC=CC=C6)CCN6CCC(OP(O)(O)=O)CC6)C(S(C(F)(F)F)(=O)=O)=C5)(=O)=O)C=C4)CC3)=C2)C(C(O)=O)=C1C |
| InChi Key | FSZILRQCEAUYPL-VQJSHJPSSA-N |
| InChi Code | InChI=1S/C53H59ClF3N6O10PS3/c1-35(2)63-36(3)49(52(64)65)50(51(63)37-12-14-39(54)15-13-37)38-8-7-9-43(32-38)62-30-28-61(29-31-62)42-18-16-40(17-19-42)59-77(71,72)46-20-21-47(48(33-46)76(69,70)53(55,56)57)58-41(34-75-45-10-5-4-6-11-45)22-25-60-26-23-44(24-27-60)73-74(66,67)68/h4-21,32-33,35,41,44,58-59H,22-31,34H2,1-3H3,(H,64,65)(H2,66,67,68)/t41-/m1/s1 |
| Chemical Name | 5-(4-chlorophenyl)-2-methyl-4-[3-[4-[4-[[4-[[(2R)-1-phenylsulfanyl-4-(4-phosphonooxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-1-propan-2-ylpyrrole-3-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: Please store this product in a sealed and protected environment, 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 | Intravitreal (IVT) injection of UBX1325 reduced anti-apoptotic Bcl-xL:Bim complexes in the retina of C57BL/6 mice model of oxygen-induced retinopathy (OIR) [1]. In mice with streptozotocin (STZ)-induced retinopathy, UBX1325 can lower retinal vascular permeability and enhance retinal neovascularization [1]. |
| References |
[1]. UBX1325, a small molecule inhibitor of Bcl-xL, attenuates vascular dysfunction in two animal models of retinopathy. Investigative Ophthalmology & Visual Science June 2021,Volume 62, Issue 8. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~86.23 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.16 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 | 0.8623 mL | 4.3115 mL | 8.6230 mL | |
| 5 mM | 0.1725 mL | 0.8623 mL | 1.7246 mL | |
| 10 mM | 0.0862 mL | 0.4311 mL | 0.8623 mL |