| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
Seco-DUBA (SK-BR-3 cells; 0.0001 pM~0.01 nM; 144 hours) exhibits potency and efficacy comparable to DUBA, albeit at a dose-dependent reduction in cell viability[1]. SK-BR-3 (IC50=0.09), SK-OV-3 (IC50=0.43), and SW620 (IC50=0.09) cells exhibit great sensitivity when exposed to seco-DUBA[1].
|
|---|---|
| ln Vivo |
Seco-DUBA (89 μg/kg; iv) is likely transformed to DUBA virtually instantaneously[1].
|
| Cell Assay |
Cell Cytotoxicity Assay[1]
Cell Types: SK-BR-3 cells Tested Concentrations: 0.0001 pM~0.01 nM Incubation Duration: 144 hrs (hours) Experimental Results: Dose-dependent decreased cell viability. |
| Animal Protocol |
Animal/Disease Models: Wistar rats[1]
Doses: 89 μg/kg (pharmacokinetic/PK Analysis) Route of Administration: Iv Experimental Results: Likely converted to DUBA almost instantaneously. |
| References |
| Molecular Formula |
C29H23CLN4O4
|
|---|---|
| Molecular Weight |
526.97
|
| Exact Mass |
526.14
|
| CAS # |
1227961-59-2
|
| Related CAS # |
Seco-DUBA hydrochloride;1795733-93-5
|
| PubChem CID |
46240929
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| Appearance |
Light yellow to brown solid powder
|
| LogP |
5.3
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
38
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| Complexity |
885
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| Defined Atom Stereocenter Count |
1
|
| SMILES |
C(NC1=CN2C=C(C(N3C4=C(C5=C(C)C=CC=C5C(O)=C4)[C@H](CCl)C3)=O)N=C2C=C1)(=O)C1=CC=C(O)C=C1
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| InChi Key |
VQAFBYLFRCCWNB-GOSISDBHSA-N
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| InChi Code |
InChI=1S/C29H23ClN4O4/c1-16-3-2-4-21-24(36)11-23-27(26(16)21)18(12-30)13-34(23)29(38)22-15-33-14-19(7-10-25(33)32-22)31-28(37)17-5-8-20(35)9-6-17/h2-11,14-15,18,35-36H,12-13H2,1H3,(H,31,37)/t18-/m1/s1
|
| Chemical Name |
N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide
|
| 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) |
DMSO : 100 mg/mL (189.76 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 1 mg/mL (1.90 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: 1 mg/mL (1.90 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8976 mL | 9.4882 mL | 18.9764 mL | |
| 5 mM | 0.3795 mL | 1.8976 mL | 3.7953 mL | |
| 10 mM | 0.1898 mL | 0.9488 mL | 1.8976 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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