3-Formyl rifamycin is an intermediate of Rifampicin, and has been used to develop several rifamycin derivatives with antibiotic activity that targets RNA synthesis.
Physicochemical Properties
| Molecular Formula | C38H47NO13 |
| Molecular Weight | 725.78 |
| Exact Mass | 725.304 |
| CAS # | 13292-22-3 |
| PubChem CID | 6438444 |
| Appearance | Pink to red solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 855.4±65.0 °C at 760 mmHg |
| Melting Point | 182-184°C |
| Flash Point | 471.1±34.3 °C |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.633 |
| LogP | 2.85 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 52 |
| Complexity | 1410 |
| Defined Atom Stereocenter Count | 9 |
| SMILES | O(C(C([H])([H])[H])=O)[C@]1([H])[C@]([H])(C([H])([H])[H])[C@]([H])(C([H])=C([H])O[C@]2(C([H])([H])[H])C(C3C4=C(C(C([H])=O)=C(C(=C4C(=C(C([H])([H])[H])C=3O2)O[H])O[H])N([H])C(C(C([H])([H])[H])=C([H])C([H])=C([H])[C@]([H])(C([H])([H])[H])[C@@]([H])([C@@]([H])(C([H])([H])[H])[C@]([H])([C@@]1([H])C([H])([H])[H])O[H])O[H])=O)O[H])=O)OC([H])([H])[H] |c:18,64,t:60| |
| InChi Key | BBNQHOMJRFAQBN-UPZFVJMDSA-N |
| InChi Code | InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1 |
| Chemical Name | [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate |
| Synonyms | 3-formyl Rifampicin SV NCI 145-635Rifaldehyde |
| 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
Solubility Data
| Solubility (In Vitro) | DMSO : ~62.5 mg/mL (~86.11 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.87 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 20.8 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: 2.08 mg/mL (2.87 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3778 mL | 6.8891 mL | 13.7783 mL | |
| 5 mM | 0.2756 mL | 1.3778 mL | 2.7557 mL | |
| 10 mM | 0.1378 mL | 0.6889 mL | 1.3778 mL |