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| Targets |
Drug-linker conjugate for ADC synthesis
DL-01 formic does not have a direct biological target as it is a drug-linker conjugate used for ADC synthesis. Its function is to serve as a precursor for constructing a complete ADC. The "drug" portion of the conjugate is a cytotoxic payload, and the "linker" portion connects it to an antibody. Once conjugated to an antibody, the resulting ADC targets a specific antigen on cancer cells. The compound itself is not designed to interact with biological targets; its value lies in its use as a building block for ADC synthesis. |
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| ln Vitro |
The compound is characterized as a drug-linker conjugate for ADC synthesis rather than as a standalone therapeutic agent .
DL-01 formic itself is not evaluated for direct biological activity as it is an intermediate for ADC synthesis. Its utility is demonstrated in chemical synthesis rather than in biological assays. The compound is used to construct ADCs, which are then tested for their ability to bind to target antigens and exert cytotoxicity in cancer cell lines. The linker's stability and efficiency in conjugation are assessed. It is a chemical building block. |
| ln Vivo |
As an ADC drug-linker conjugate intermediate, the biological activity of the final ADC molecule would depend on the specific antibody conjugated to it .
In vivo activity is not applicable to DL-01 formic itself as it is a drug-linker conjugate for ADC synthesis. The in vivo efficacy would be attributed to the complete ADC molecule synthesized using this intermediate. Such ADCs would be evaluated in animal models for antitumor activity and pharmacokinetics. The compound itself is not administered to animals. Its role is confined to chemical synthesis. It is stored and handled based on its chemical properties. |
| Enzyme Assay |
As a drug-linker conjugate, its primary function is to serve as a synthetic intermediate for ADC production rather than as a direct biological probe.
In vitro enzyme/receptor binding assays are not applicable to DL-01 formic as it is an ADC intermediate. The primary in vitro characterization involves chemical analysis to confirm its identity and purity. The compound is used in conjugation reactions to synthesize ADCs. The efficiency of the conjugation and the stability of the resulting ADC are assessed by HPLC or mass spectrometry. No receptor binding assays are performed on the intermediate itself. |
| Cell Assay |
The compound is primarily a chemical intermediate for ADC synthesis, and its role in biological assays would be as part of a complete ADC molecule.
Cell-based assays are not directly performed on DL-01 formic as it is an ADC intermediate. However, the final ADC molecules synthesized from this intermediate are tested in cell-based assays. Typically, cancer cell lines expressing the target antigen are treated with the ADC, and cell viability is assessed using MTT or CellTiter-Glo assays. Antigen binding and internalization are measured by flow cytometry. These assays confirm the functional activity of the ADC. The intermediate itself is not tested in cell culture. |
| Animal Protocol |
In vivo animal experiments are not performed with DL-01 formic itself. This compound is a synthetic building block used to construct ADCs. Once an ADC is synthesized, it may be tested in animal models, typically xenograft models in mice. Tumor-bearing mice are administered the ADC, and tumor growth inhibition, pharmacokinetics, and toxicity are evaluated. However, the intermediate itself is not administered to animals.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to DL-01 formic as it is an ADC intermediate. The compound has a molecular weight of 1144.3 g/mol and is a solid. Its solubility and stability are characterized to facilitate its use in chemical synthesis. The formic acid group may influence its reactivity. No ADME studies are performed on this intermediate. It is not intended for biological administration.
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| Toxicity/Toxicokinetics |
Toxicological data for DL-01 formic are not available as it is a research chemical intermediate. Standard laboratory safety precautions for handling chemical reagents should be followed. The compound is not intended for human or animal consumption. Its specific toxicity profile has not been established. Any toxicological assessment would be performed on the final ADC drug candidate, not on this synthetic precursor. It is handled as a potentially hazardous material.
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| References | |
| Additional Infomation |
DL-01 formic (CAS: 2964513-44-6) has a molecular weight of 1144.30 and molecular formula C56H73N9O15S . The compound appears as a white to light yellow solid powder with a purity of ≥98% . Physicochemical properties include 6 hydrogen bond donors, 19 hydrogen bond acceptors, 28 rotatable bonds, and 3 defined atom stereocenters . The compound is referenced in patent WO2023046202A1 titled "Antibody, antibody-drug conjugate thereof and use thereof" by Yonghan Hu et al. . This patent likely contains the primary characterization data for the compound, including its synthesis and application in ADCs. The product has a high molecular complexity (2400), indicating a complex chemical structure typical of ADC linkers . For research applications, the compound is typically stored at -80°C for long-term stability and shipped with dry ice . This product is intended for research and development use only and is not for human or veterinary therapeutic applications .
DL-01 formic is a drug-linker conjugate used in the synthesis of antibody-drug conjugates (ADCs). Its molecular formula is C56H73N9O15S, and its molecular weight is 1144.3 g/mol. It contains a formic acid group. It is a proprietary compound designed for ADC construction. It is available for research use only. |
| Molecular Formula |
C56H73N9O15S
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|---|---|
| Molecular Weight |
1144.29513335228
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| Exact Mass |
1143.495
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| CAS # |
2964513-44-6
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| Related CAS # |
2821770-49-2
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| PubChem CID |
169494485
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| Appearance |
White to light yellow solid powder
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
19
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| Rotatable Bond Count |
28
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| Heavy Atom Count |
81
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| Complexity |
2400
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| Defined Atom Stereocenter Count |
3
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| SMILES |
S(C)(C1=NC=C(C=N1)C#CCCCC(N[C@H](C(N[C@H](C(NCC(NCOCCCC1C2=CC3=C(C=C2N=C2C4=CC5=C(COC([C@@]5(CC)O)=O)C(N4CC2=1)=O)OCO3)=O)=O)CCCCN(CCC)CCC)=O)C(C)C)=O)(=O)=O.OC=O
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| InChi Key |
ZMBPWERFMPCLPF-UNTITNOJSA-N
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| InChi Code |
InChI=1S/C55H71N9O13S.CH2O2/c1-7-20-63(21-8-2)22-14-13-18-41(61-51(68)48(34(4)5)62-46(65)19-12-10-11-16-35-27-57-54(58-28-35)78(6,72)73)50(67)56-29-47(66)59-32-74-23-15-17-36-37-24-44-45(77-33-76-44)26-42(37)60-49-38(36)30-64-43(49)25-40-39(52(64)69)31-75-53(70)55(40,71)9-3;2-1-3/h24-28,34,41,48,71H,7-10,12-15,17-23,29-33H2,1-6H3,(H,56,67)(H,59,66)(H,61,68)(H,62,65);1H,(H,2,3)/t41-,48-,55-;/m0./s1
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| Chemical Name |
(2S)-6-(dipropylamino)-N-[2-[3-[(5S)-5-ethyl-5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl]propoxymethylamino]-2-oxoethyl]-2-[[(2S)-3-methyl-2-[6-(2-methylsulfonylpyrimidin-5-yl)hex-5-ynoylamino]butanoyl]amino]hexanamide;formic acid
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| Synonyms |
DL-01 formic; DL-01 (formic); 2964513-44-6; orb2564849; N-((11S,14S)-11-(4-(dipropylamino)butyl)-1-((S)-7-ethyl-7-hydroxy-8,11-dioxo-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14-yl)-15-methyl-7,10,13-trioxo-4-oxa-6,9,12-triazahexadecan-14-yl)-6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamide formate;
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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 :~50 mg/mL (~43.69 mM; with sonication (<60°C))
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.18 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 and add it to 400 μL PEG300 and mix well. Then add 50 μL Tween-80 to the above system and mix well. Then continue to add 450 μL of physiological saline to make up 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 (2.18 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 and add it to 900 μL of 20% SBE-β-CD saline solution and mix well. 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 (2.18 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 | 0.8739 mL | 4.3695 mL | 8.7390 mL | |
| 5 mM | 0.1748 mL | 0.8739 mL | 1.7478 mL | |
| 10 mM | 0.0874 mL | 0.4369 mL | 0.8739 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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