Physicochemical Properties
| Molecular Formula | C29H53N3O8 |
| Exact Mass | 571.383 |
| CAS # | 1415246-54-6 |
| PubChem CID | 71109643 |
| Appearance | White to off-white solid powder |
| LogP | 3.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 16 |
| Heavy Atom Count | 40 |
| Complexity | 859 |
| Defined Atom Stereocenter Count | 7 |
| SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C |
| InChi Key | OCXHPHOVIMNVPQ-UTHKHBGESA-N |
| InChi Code | InChI=1S/C29H53N3O8/c1-12-18(4)24(31(9)26(34)23(17(2)3)30-28(37)40-29(6,7)8)21(38-10)16-22(33)32-15-13-14-20(32)25(39-11)19(5)27(35)36/h17-21,23-25H,12-16H2,1-11H3,(H,30,37)(H,35,36)/t18-,19+,20-,21+,23-,24-,25+/m0/s1 |
| Chemical Name | (2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoic 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
| Targets | Cleavable Linker |
| ln Vitro | ADCs are made up of an antibody and an ADC cytotoxin that are joined together by an ADC linker. |
| References | [1]. Céline Mordant, et al. Total synthesis of dolastatin 10 through ruthenium-catalyzed asymmetric hydrogenations. Tetrahedron. Volume 63, Issue 27, 2 July 2007, Pages 6115-6123. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (174.90 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.37 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 (4.37 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 (4.37 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.) |