CYP4Z1-IN-1

Alias: compound 7c; CYP4Z1-IN-1; CYP4Z1-IN 1; CYP4Z1 IN-1; CYP4Z1 Inhibitor 7c; CYP4Z1-IN-7c; GLXC-26590;
Cat No.:V56816 Purity: ≥98%
CYP4Z1-IN-1 (compound 7c) is a potent inhibitor of CYP4Z1 with IC50 of 41.8 nM.
CYP4Z1-IN-1 Chemical Structure CAS No.: 2760611-38-7
Product category: Others 11
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
100mg
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1g
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Product Description
CYP4Z1-IN-1 (compound 7c) is a potent inhibitor of CYP4Z1 with IC50 of 41.8 nM. CYP4Z1-IN-1 reduces breast cancer stem cell marker expression, spheroid formation and metastasis capacity, and tumor initiation in a concentration-dependent fashion in vitro & in vivo.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
CYP4Z1-IN-1 (compound 7c) exhibits anti-proliferative action against breast cancer stem cells (CSCs) at an IC50 of 483 ± 2.5 nM[1]. In breast cancer cells, CYP4Z1-IN-1 (0.8-51.2 μM, 24 h) refluxes the expression of stem cell markers (P-gp, Oct3/4, Nanog, ALDH1A1, and Sox2) [1]. Breast cancer cells can migrate sparsely when exposed to CYP4Z1-IN-1 (0.8–51.2 μM, 24-48 hours).
ln Vivo
CYP4Z1-IN-1 (compound 7c) (2000 mg/kg, recently, for 7 days) has no obvious toxicity and weight loss in mice [1]. CYP4Z1-IN-1 (12.8 μM, 72 h treatment of MCF-7 and MDA-MB-231 cells, then subcutaneous tumor cells inguinal breast) can induce tumescent cell initiation [1].
Cell Assay
Western Blot Analysis[1]
Cell Types: MCF-7 and MDA-MB-231 Cell
Tested Concentrations: 0.8 μM, 3.2 μM, 12.8 μM, 51.2 μM
Incubation Duration: 24 h
Experimental Results: Significant inhibition of protein and solubility [1]. The expression of stemness markers (P-gp, Oct3/4, Nanog, ALDH1A1, and Sox2) in MCF-7 cells was concentration-dependent.
Animal Protocol
Animal/Disease Models: Mice [1]
Doses: 2000 mg/kg
Route of Administration: Orally for 7 days
Experimental Results: Compound 7c is shown to be quite safe; no obvious toxicity and weight loss were observed.

Animal/Disease Models: BALB/c-nude mice (3-4 weeks old, female) [1]
Doses: 12.8 μM
Route of Administration: MCF-7 and MDA-MB-231 cells were pretreated with 7c (12.8 μM) for 72 hrs (hrs (hours)) and then Implanted subcutaneously (sc) (sc) into the mouse inguinal mammary gland
Experimental Results: Blocks the tumor-initiating ability of breast cancer cells.
References
[1]. Yuan Y, et al. Identification of a Novel Potent CYP4Z1 Inhibitor Attenuating the Stemness of Breast Cancer Cells through Lead Optimization. J Med Chem. 2022 Dec 8;65(23):15749-15769.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C13H18N2O3
Molecular Weight
250.3
Exact Mass
250.13
Elemental Analysis
C, 62.38; H, 7.25; N, 11.19; O, 19.18
CAS #
2760611-38-7
SMILES
O=C(CCCC1=CC=C(C=C1)N/C=N/O)OCC
InChi Key
HJEKWTVRPSQJRV-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H18N2O3/c1-2-18-13(16)5-3-4-11-6-8-12(9-7-11)14-10-15-17/h6-10,17H,2-5H2,1H3,(H,14,15)
Chemical Name
ethyl (E)-4-(4-(N'-hydroxyformimidamido)phenyl)butanoate
Synonyms
compound 7c; CYP4Z1-IN-1; CYP4Z1-IN 1; CYP4Z1 IN-1; CYP4Z1 Inhibitor 7c; CYP4Z1-IN-7c; GLXC-26590;
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 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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.9952 mL 19.9760 mL 39.9521 mL
5 mM 0.7990 mL 3.9952 mL 7.9904 mL
10 mM 0.3995 mL 1.9976 mL 3.9952 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:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
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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