Physicochemical Properties
Molecular Formula | C17H17NO4 |
Molecular Weight | 299.32 |
Exact Mass | 299.115 |
CAS # | 32981-85-4 |
PubChem CID | 182104 |
Appearance | White to off-white solid powder |
Density | 1.2±0.1 g/cm3 |
Boiling Point | 540.3±50.0 °C at 760 mmHg |
Flash Point | 280.6±30.1 °C |
Vapour Pressure | 0.0±1.5 mmHg at 25°C |
Index of Refraction | 1.588 |
LogP | 2.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 6 |
Heavy Atom Count | 22 |
Complexity | 373 |
Defined Atom Stereocenter Count | 2 |
SMILES | O([H])C([H])(C(=O)OC([H])([H])[H])[C@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C(C1C([H])=C([H])C([H])=C([H])C=1[H])=O |
InChi Key | UYJLJICUXJPKTB-LSDHHAIUSA-N |
InChi Code | InChI=1S/C17H17NO4/c1-22-17(21)15(19)14(12-8-4-2-5-9-12)18-16(20)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3,(H,18,20)/t14-,15+/m0/s1 |
Chemical Name | methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate |
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]. Krawczyk E, et al. Cytotoxic, antiviral (in-vitro and in-vivo), immunomodulatory activity and influence on mitotic divisions of three taxol derivatives: 10-deacetyl-baccatin III, methyl (N-benzoyl-(2'R,3'S)-3'-phenylisoserinate) and N-benzoyl-(2'R,3'S)-3' |
Additional Infomation | Bz-RS-ISer(3-Ph)-Ome is a fatty acid ester. |
Solubility Data
Solubility (In Vitro) | DMSO : 125 mg/mL (417.61 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (7.25 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 21.7 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: ≥ 2.17 mg/mL (7.25 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 21.7 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 | 3.3409 mL | 16.7045 mL | 33.4091 mL | |
5 mM | 0.6682 mL | 3.3409 mL | 6.6818 mL | |
10 mM | 0.3341 mL | 1.6705 mL | 3.3409 mL |