Physicochemical Properties
Molecular Formula | C47H64N5O9PSI |
Molecular Weight | 902.10 |
Exact Mass | 901.421 |
CAS # | 121058-88-6 |
PubChem CID | 11814945 |
Appearance | White to off-white solid powder |
LogP | 10.84 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 11 |
Rotatable Bond Count | 21 |
Heavy Atom Count | 63 |
Complexity | 1560 |
Defined Atom Stereocenter Count | 4 |
SMILES | CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=CC(=NC2=O)NC(=O)C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC |
InChi Key | QKWKXYVKGFKODW-ZYRNLWDWSA-N |
InChi Code | InChI=1S/C47H64N5O9PSi/c1-32(2)52(33(3)4)62(58-30-16-28-48)60-42-40(59-44(43(42)61-63(11,12)46(6,7)8)51-29-27-41(49-34(5)53)50-45(51)54)31-57-47(35-17-14-13-15-18-35,36-19-23-38(55-9)24-20-36)37-21-25-39(56-10)26-22-37/h13-15,17-27,29,32-33,40,42-44H,16,30-31H2,1-12H3,(H,49,50,53,54)/t40-,42-,43-,44-,62?/m0/s1 |
Chemical Name | N-[1-[(2S,3S,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide |
Synonyms | Ac-rC Phosphoramidite |
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: This product requires protection from light (avoid light exposure) during transportation and storage. |
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]. Anomalous Reverse Transcription through Chemical Modifications in Polyadenosine Stretches. Biochemistry. 2020 Jun 16;59(23):2154-2170. |
Solubility Data
Solubility (In Vitro) | DMSO : ~100 mg/mL (~110.9 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (2.77 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 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 (2.77 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 | 1.1085 mL | 5.5426 mL | 11.0852 mL | |
5 mM | 0.2217 mL | 1.1085 mL | 2.2170 mL | |
10 mM | 0.1109 mL | 0.5543 mL | 1.1085 mL |