| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
DC1-SMe targets DNA, specifically binding to the minor groove. As a derivative of the alkylating agent CC-1065, its mechanism of action involves the alkylation of DNA, which is a critical pathway for tumor growth inhibition. The compound is utilized as a potent cytotoxic payload in the synthesis of antibody-drug conjugates, enabling the targeted delivery of the DNA-alkylating agent to cancer cells.
|
|---|---|
| ln Vitro |
DC1-SMe demonstrates potent in vitro anticancer activity against various cancer cell lines. It exhibits extremely low IC50 values, indicating high potency: 22 pM against Ramos cells, 10 pM against Namalwa cells, 32 pM against HL60/s cells, and 250 pM against COLO 205 cancer cells. This exceptional in vitro potency makes it a highly effective cytotoxic agent for research applications in targeted cancer therapies.
|
| ln Vivo |
Specific in vivo data for DC1-SMe is not extensively detailed in the provided search results. However, as a derivative of DC1, which is an antibody conjugate for the targeted treatment of cancer, its in vivo activity is implied through its use in the synthesis of antibody-drug conjugates. These conjugates are designed to deliver the potent cytotoxic agent directly to tumor cells in vivo, thereby harnessing its DNA-alkylating mechanism for targeted cancer therapy.
|
| Enzyme Assay |
The in vitro activity of DC1-SMe is typically assessed using cell viability or proliferation assays. Cancer cell lines such as Ramos, Namalwa, HL60/s, and COLO 205 are seeded in multi-well plates and treated with varying concentrations of DC1-SMe. After an incubation period (e.g., 72-96 hours), cell viability is measured using standard assays like MTT, CellTiter-Glo, or resazurin reduction. The concentration of compound required to inhibit cell growth by 50% (IC50) is then calculated from the dose-response curves.
|
| Cell Assay |
In vitro cellular assays for DC1-SMe are primarily conducted to evaluate its anticancer potency. Various cancer cell lines, including Ramos, Namalwa, HL60/s, and COLO 205, are cultured and exposed to serial dilutions of the compound. Following treatment, cell viability is quantified using colorimetric or luminescent readouts. These assays are crucial for determining the compound's IC50 values and confirming its potent cytotoxic effects against different tumor types.
|
| Animal Protocol |
In vivo animal studies for DC1-SMe are typically performed in the context of antibody-drug conjugate (ADC) efficacy models. Immunodeficient mice bearing human tumor xenografts (e.g., from cell lines like Ramos or COLO 205) are treated with DC1-SMe-based ADCs. Tumor growth inhibition is monitored over several weeks, and the therapeutic efficacy of the ADC is evaluated by comparing tumor volumes in treated versus control groups.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of DC1-SMe are inferred from its design as a phosphate prodrug. The phosphate group confers enhanced solubility and stability in aqueous solutions. In the presence of phosphatases, the prodrug is converted into the active DNA-alkylating agent. The compound is typically handled as a solid stored at room temperature. As an ADC payload, its PK profile is largely determined by the antibody conjugate, which improves its half-life and tumor targeting.
|
| Toxicity/Toxicokinetics |
Specific toxicological data for DC1-SMe is not provided in the search results. As a potent DNA alkylator, it is expected to be highly toxic, which is the basis for its use as a cytotoxic payload in ADCs. Its toxicity is managed by conjugation to antibodies that target tumor cells, thereby limiting systemic exposure. The compound is explicitly labeled "For research and manufacturing use only" and not for sale to patients.
|
| References | |
| Additional Infomation |
DC1-SMe (CAS 501666-85-9) is an important research tool in the field of oncology, specifically for the development of antibody-drug conjugates. It is a derivative of DC1, a simplified analog of the potent alkylator CC-1065. Its function as a phosphate prodrug of a cytotoxic DNA alkylator makes it a valuable payload for targeted cancer therapies. The compound is not approved for human therapeutic use and is strictly for research purposes.
|
| Molecular Formula |
C35H30N5O4S2CL
|
|---|---|
| Molecular Weight |
684.2268
|
| Exact Mass |
683.142
|
| CAS # |
501666-85-9
|
| PubChem CID |
10327248
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
5.8
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
9
|
| Heavy Atom Count |
47
|
| Complexity |
1150
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
O=C(C(N1)=CC2=C1C=CC(NC(CCSSC)=O)=C2)NC3=CC4=C(NC(C(N5C[C@@H](CCl)C6=C5C=C(O)C7=CC=CC=C67)=O)=C4)C=C3
|
| InChi Key |
TVEHPTDUSKNJAT-OAQYLSRUSA-N
|
| InChi Code |
InChI=1S/C35H30ClN5O4S2/c1-46-47-11-10-32(43)37-22-6-8-26-19(12-22)14-28(39-26)34(44)38-23-7-9-27-20(13-23)15-29(40-27)35(45)41-18-21(17-36)33-25-5-3-2-4-24(25)31(42)16-30(33)41/h2-9,12-16,21,39-40,42H,10-11,17-18H2,1H3,(H,37,43)(H,38,44)/t21-/m1/s1
|
| Chemical Name |
N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-5-[3-(methyldisulfanyl)propanoylamino]-1H-indole-2-carboxamide
|
| 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: 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)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4615 mL | 7.3075 mL | 14.6150 mL | |
| 5 mM | 0.2923 mL | 1.4615 mL | 2.9230 mL | |
| 10 mM | 0.1461 mL | 0.7307 mL | 1.4615 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
