| Size | Price | Stock | Qty |
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| 5mg |
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| Other Sizes |
| Targets |
T2AA targets proliferating cell nuclear antigen (PCNA), a critical protein involved in DNA replication and repair. It inhibits the interaction between PCNA and its binding partners, such as the PIP-box peptide. This inhibition disrupts DNA replication and repair processes, leading to DNA replication stress and cell death. The compound's mechanism of action makes it a potential anticancer agent.
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| ln Vitro |
T2AA (15 μM, 72 h) prevents the repair of interstrand DNA cross-links (ICLs). It has the capacity to block DSB repair and stop DNA double-strand breaks (DSB) from breaking down as an intermediary in ICL repair [1].
In vitro, T2AA (15 μM, 72 h) inhibits interstrand crosslink (ICL) repair and prevents the resolution of DNA double-strand breaks (DSBs) that form as ICL repair intermediates. It has the ability to inhibit DSB repair. The compound suppresses cancer cell growth and causes DNA replication stress by stalling DNA replication forks. These activities contribute to its antiproliferative effects. |
| ln Vivo |
In vivo data for T2AA are limited. As a PCNA inhibitor, it is expected to have potential for cancer therapy. However, specific in vivo studies have not been detailed in the available literature. Further research is needed to evaluate its efficacy and safety in animal models of cancer.
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| Enzyme Assay |
The in vitro assay for T2AA typically involves measuring its ability to inhibit the interaction between PCNA and the PIP-box peptide. This is done using a fluorescence polarization or ELISA-based assay. The compound's IC50 of approximately 1 μM was determined using such assays. These assays are crucial for confirming its mechanism of action.
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| Cell Assay |
Cellular assays for T2AA are performed using various cancer cell lines. Cells are treated with T2AA, and its effects on DNA replication, repair, and cell viability are assessed. The compound's ability to inhibit DSB repair is evaluated using assays that measure the resolution of DNA double-strand breaks. Standard cell viability and proliferation assays are also used.
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| Animal Protocol |
In vivo animal protocols for T2AA are not available in the literature. As a PCNA inhibitor, it would typically be evaluated in mouse models of cancer. However, such studies have not been reported. The compound is currently used primarily for in vitro research to study DNA replication and repair.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of T2AA have not been characterized. It is a small molecule with a molecular weight of 511.09. The compound is typically dissolved in DMSO for in vitro studies. Further studies are needed to determine its oral bioavailability, half-life, and tissue distribution. Its potential as an anticancer agent would require optimization of its PK properties.
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| Toxicity/Toxicokinetics |
Toxicity data for T2AA are limited. As a PCNA inhibitor, it may have toxic effects on rapidly dividing normal cells. The compound is intended for research use only and is not approved for human therapeutic use. Comprehensive toxicological studies are needed.
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| References | |
| Additional Infomation |
T2AA is a PCNA inhibitor that inhibits PCNA/PIP-box peptide interaction. It suppresses cancer cell growth and causes DNA replication stress. The compound is used as a chemosensitizer and a research tool for studying DNA replication and repair. It is not currently in clinical trials.
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| Molecular Formula |
C15H15I2NO3
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|---|---|
| Molecular Weight |
511.09
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| Exact Mass |
510.914
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| Elemental Analysis |
C, 35.25; H, 2.96; I, 49.66; N, 2.74; O, 9.39
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| CAS # |
1380782-27-3
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| PubChem CID |
71185540
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| Appearance |
White to off-white solid powder
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| Density |
2.0±0.1 g/cm3
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| Boiling Point |
568.1±50.0 °C at 760 mmHg
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| Flash Point |
297.4±30.1 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.715
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| LogP |
3.44
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
21
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| Complexity |
301
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| Defined Atom Stereocenter Count |
1
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| SMILES |
IC1C(=C(C=C(C=1)C[C@@H](CO)N)I)OC1C=CC(=CC=1)O
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| InChi Key |
NKOSKXJRVWVXRI-JTQLQIEISA-N
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| InChi Code |
InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1
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| Chemical Name |
4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol
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| Synonyms |
T2AA
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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 |
| 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 (~195.7 mM)
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| 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 | 1.9566 mL | 9.7830 mL | 19.5660 mL | |
| 5 mM | 0.3913 mL | 1.9566 mL | 3.9132 mL | |
| 10 mM | 0.1957 mL | 0.9783 mL | 1.9566 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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