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DUBs-IN-1

Cat No.:V28756 Purity: ≥98%
DUB-IN-1 is an active ubiquitin-specific proteases inhibitor (antagonist) with IC50 of 0.85 μM for USP8.
DUBs-IN-1
DUBs-IN-1 Chemical Structure CAS No.: 924296-18-4
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
10mg
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Product Description
DUB-IN-1 is an active ubiquitin-specific proteases inhibitor (antagonist) with IC50 of 0.85 μM for USP8.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
DUBs-IN-1 (22 d) exhibits an IC50 of 0.85 μM against USP8, making it an effective inhibitor of ubiquitin-specific proteases. When it comes to USP7 (IC50, >100 μM), DUBs-IN-1 is inactive. DUBs-IN-1 and its derivatives, with IC50 values ranging from 0.5 μM to 1.5 μM, have the ability to decrease the viability of the HCT116 colon cancer cell line and the PC-3 prostate cancer cell line [1].
References

[1]. Synthesis and biological evaluation of 9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile analogues as potential inhibitors of deubiquitinating enzymes. ChemMedChem. 2010 Apr 6;5(4):552-8.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C20H11N5O
Molecular Weight
337.33424
Exact Mass
337.096
CAS #
924296-18-4
PubChem CID
16065490
Appearance
Light yellow to yellow solid powder
Density
1.32g/cm3
Boiling Point
632.2ºC at 760 mmHg
Flash Point
336.2ºC
Index of Refraction
1.704
LogP
3.169
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Heavy Atom Count
26
Complexity
637
Defined Atom Stereocenter Count
0
SMILES
C1=CC=C(C=C1)CO/N=C/2\C3=CC=CC=C3C4=NC(=C(N=C42)C#N)C#N
InChi Key
GKOWDIBLCDZJHF-NCELDCMTSA-N
InChi Code
InChI=1S/C20H11N5O/c21-10-16-17(11-22)24-20-18(23-16)14-8-4-5-9-15(14)19(20)25-26-12-13-6-2-1-3-7-13/h1-9H,12H2/b25-19+
Chemical Name
(9E)-9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
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

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~296.45 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 2.5 mg/mL (7.41 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 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 (7.41 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.9645 mL 14.8223 mL 29.6446 mL
5 mM 0.5929 mL 2.9645 mL 5.9289 mL
10 mM 0.2964 mL 1.4822 mL 2.9645 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.

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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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