| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 250mg |
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| 500mg | |||
| Other Sizes |
| Targets |
No specific biological target; the compound is a chemical linker used for conjugation of biomolecules (proteins, peptides, small molecules) via NHS ester primary amine coupling. The disulfide bond provides a cleavable linkage upon reduction.
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|---|---|
| ln Vitro |
Not applicable; as a linker molecule, it does not have direct “activity” in the pharmacological sense. Its utility is demonstrated in the conjugation of bioactive molecules to surfaces, nanoparticles, or other molecules, where it facilitates stable amide bond formation and reversible release under reducing conditions.
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| ln Vivo |
Not applicable; HSD1590 is not evaluated for in vivo activity as a therapeutic agent. It is used as a tool for preparing bioconjugates (e.g., antibody-drug conjugates, PROTACs) that may have in vivo activity, but the linker itself is not pharmacologically active.
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| Enzyme Assay |
Conjugation protocols: NHS-PEG1-SS-PEG1-NHS is dissolved in anhydrous DMSO or DMF; mixed with target molecule containing primary amines (pH 7.5-8.5). Reaction proceeds at room temperature for 1-4h. Unreacted NHS groups quenched with Tris or glycine. Conjugate purified via dialysis or size-exclusion chromatography. Disulfide reduction tested with DTT or TCEP.
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| Cell Assay |
Not applicable (cell-based assays not typical for linker molecules); linker is used to prepare conjugates that are subsequently tested in cell assays. General cell viability testing of the linker alone could be performed, but no specific protocols are available; low cell toxicity is generally assumed for PEG-based linkers.
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| Animal Protocol |
In vivo formulation: NHS-PEG1-SS-PEG1-NHS (≥2.5 mg/mL) dissolved in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline, sequentially mixed. For nanoparticle preparation, linker is conjugated to protein or nanoparticle surface via NHS-amine coupling; in vivo administration of conjugates (e.g., IV injection) follows standard protocols.
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| ADME/Pharmacokinetics |
Pharmacokinetic data not applicable; as a chemical linker, HSD1590 is not administered as a free therapeutic. When conjugated to proteins/nanoparticles, the linker's disulfide bond can be cleaved in reducing intracellular environments (e.g., cytoplasm, endosomes), enabling controlled drug release. Half-life of conjugates influenced by PEG content.
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| Toxicity/Toxicokinetics |
Low toxicity; MSDS indicates not a hazardous substance or mixture under normal handling. Under fire conditions may decompose to toxic fumes. Standard laboratory precautions recommended; avoid skin/eye contact and environmental release.
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| Additional Infomation |
Reversible linker based on patent WO2019050977A1. The disulfide bond enables redox-sensitive release of conjugated cargo in reducing intracellular environments. Widely used in PROTAC (proteolysis-targeting chimera) synthesis for targeted protein degradation, as well as in nanomedicine and ADCs. High reactivity with primary amines requires careful handling and storage (−20degC, protected from moisture).
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| Molecular Formula |
C14H16N2O10S2
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|---|---|
| Molecular Weight |
436.4142
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| Exact Mass |
436.024
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| CAS # |
1688598-83-5
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| PubChem CID |
60164121
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| Appearance |
White to off-white solid powder
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| LogP |
-0.3
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
13
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| Heavy Atom Count |
28
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| Complexity |
583
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CC(=O)N(C1=O)OC(=O)OCCSSCCOC(=O)ON2C(=O)CCC2=O
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| InChi Key |
BEMZOXCMCMCTHY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H16N2O10S2/c17-9-1-2-10(18)15(9)25-13(21)23-5-7-27-28-8-6-24-14(22)26-16-11(19)3-4-12(16)20/h1-8H2
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| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyldisulfanyl]ethyl carbonate
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| Synonyms |
NHSPEG1SSPEG1NHS; NHS PEG1 SS PEG1 NHS
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~229.14 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.73 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 (5.73 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.73 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2914 mL | 11.4571 mL | 22.9142 mL | |
| 5 mM | 0.4583 mL | 2.2914 mL | 4.5828 mL | |
| 10 mM | 0.2291 mL | 1.1457 mL | 2.2914 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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