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NecroX-7

Cat No.:V44087 Purity: ≥98%
NecroX-7 is a potent free radical scavenger and an HMGB1 (high mobility group box 1) inhibitor.
NecroX-7
NecroX-7 Chemical Structure CAS No.: 1120332-55-9
Product category: New3
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
50mg
Other Sizes
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Product Description
NecroX-7 is a potent free radical scavenger and an HMGB1 (high mobility group box 1) inhibitor. NecroX-7 works as an antidote to acetaminophen toxicity. NecroX-7 exerts protective effects by inhibiting the release of HMGB1 in ischemia/reperfusion injury. NecroX-7 inhibits HMGB1-induced TNF and IL-6 release, as well as the expression of TLR-4 and advanced glycation end-product receptors. NecroX-7 may be utilized in graft-versus-host disease (GVHD) research.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
NecroX-7 (0–40 μM, 3–4 days) suppresses T cells that are active or dividing without resulting in cell death [1]. In a dose-dependent manner, NecroX-7 (0-40 μM) dramatically lowers HMGB1 levels [1]. NecroX-7 prevents tert-butyl hydroperoxide or doxorubicin-induced production of mitochondria-specific reactive nitrogen species (ROS) in H9C2 cells and hepatocytes [1]. The increase in regulatory T cells caused by necroX-7 may be connected to the control of differentiation signals that occurs independently of HMGB1 [1].
ln Vivo
NecroX-7 (0-0.3 mg/kg, intravenously, every 2 days for 2 weeks) inhibits severe tissue damage and dramatically lowers mortality related to GVHD [1]. NecroX-7 protects mice from fatal GVHD through mutual regulation of regulatory T/Th1 cells, attenuating systemic HMGB1 accumulation and inhibiting HMGB1-mediated inflammatory responses [1].
Cell Assay
Cell Proliferation Assay[1]
Cell Types: CD4 T Cell
Tested Concentrations: 0, 0.625, 1.25, 2.5, 5, 10, 20 and 40 μM
Incubation Duration: 3-4 days
Experimental Results: demonstrated significant reduction in splenocyte proliferation in a dose-dependent manner sexual manner. Modulates alloreactive T cell responses.
Animal Protocol
Animal/Disease Models: Female BALB/c and C57BL/6 mice (8 weeks old, with GVHD) [1]
Doses: 0.03, 0.1 and 0.3 mg/kg
Route of Administration: intravenous (iv) (iv)injection, once every 2 days, continuously Secondary
Experimental Results: At doses ≥0.1 mg/kg, statistically significant prolongation of survival was observed: 30-60% of mice in these treatment groups survived beyond 50 days. Clinical symptoms were Dramatically improved, survival time was prolonged, and mice had diminished clinical manifestations of acute GVHD, including weight loss, hunched posture, diarrhea, and fur ruffles.
References

[1]. The Free Radical Scavenger NecroX-7 Attenuates Acute Graft-versus-Host Disease via Reciprocal Regulation of Th1/Regulatory T Cells and Inhibition of HMGB1 Release. J Immunol. 2015 Jun 1;194(11):5223-32.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C24H29N3O3S
Molecular Weight
439.570364713669
Exact Mass
439.192
CAS #
1120332-55-9
PubChem CID
44187164
Appearance
Off-white to yellow solid powder
LogP
3.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Heavy Atom Count
31
Complexity
671
Defined Atom Stereocenter Count
0
SMILES
N1C2=C(C=C(CN3CCS(=O)(=O)CC3)C=C2NC2CCOCC2)C=C1C1=CC=CC=C1
InChi Key
UZRCNCPUOFYHRB-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H29N3O3S/c28-31(29)12-8-27(9-13-31)17-18-14-20-16-22(19-4-2-1-3-5-19)26-24(20)23(15-18)25-21-6-10-30-11-7-21/h1-5,14-16,21,25-26H,6-13,17H2
Chemical Name
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-4-yl)-2-phenyl-1H-indol-7-amine
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 (~227.50 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.69 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 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 (5.69 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 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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (5.69 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 2.2750 mL 11.3748 mL 22.7495 mL
5 mM 0.4550 mL 2.2750 mL 4.5499 mL
10 mM 0.2275 mL 1.1375 mL 2.2750 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
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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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

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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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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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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