Physicochemical Properties
Molecular Formula | C34H55N3O17 |
Molecular Weight | 777.81 |
Exact Mass | 777.353 |
CAS # | 1137109-22-8 |
PubChem CID | 118986681 |
Appearance | Light yellow to green yellow liquid |
LogP | -3.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 17 |
Rotatable Bond Count | 38 |
Heavy Atom Count | 54 |
Complexity | 1090 |
Defined Atom Stereocenter Count | 0 |
SMILES | O(C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(CCN1C(C=CC1=O)=O)=O)=O)N1C(CCC1=O)=O |
InChi Key | DUKFGPQZJAPKMG-UHFFFAOYSA-N |
InChi Code | InChI=1S/C34H55N3O17/c38-29(5-8-36-30(39)1-2-31(36)40)35-7-10-45-12-14-47-16-18-49-20-22-51-24-26-53-28-27-52-25-23-50-21-19-48-17-15-46-13-11-44-9-6-34(43)54-37-32(41)3-4-33(37)42/h1-2H,3-28H2,(H,35,38) |
Chemical Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
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 | Non-cleavable Linker |
References |
[1]. Microwave-assisted solid-phase synthesis of antisense acpP peptide nucleic acid-peptide conjugates active against colistin- and tigecycline-resistant E. coli and K. pneumoniae. Eur J Med Chem. 2019 Apr 15;168:134-145. [2]. Preparation and application of FAPalpha activated polypeptide magnetic nanosphere compound used for diagnosis of tumors. CN105524141A. |
Solubility Data
Solubility (In Vitro) | DMSO : 100 mg/mL (128.57 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.21 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 (3.21 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 (3.21 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 | 1.2857 mL | 6.4283 mL | 12.8566 mL | |
5 mM | 0.2571 mL | 1.2857 mL | 2.5713 mL | |
10 mM | 0.1286 mL | 0.6428 mL | 1.2857 mL |