Art. -Nr.: HY-N15451

Deoxytopsentin

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Deoxytopsentin (compound 5) is a marine bisindole alkaloid and also a MRSA pyruvate kinase inhibitor. Deoxytopsentin exists in sponges. Deoxytopsentin exhibits antibacterial activity against methicillin-resistant Staphylococcus aureus strains in vitro.

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Reinheit: 99.42%
CAS. Nr.: 112515-42-1
Formel: C₂₀H₁₄N₄O
Molecular Weight:326.35

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

Deoxytopsentin Chemical Structure

CAS. Nr.: 112515-42-1

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Biologische Aktivität
- Beschreibung
- Cellular Effect
- In Vitro
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

Cellular Effect

Cell Line	Type	Value	Description	References
A549	ED₅₀	>30 μg/mL Compound: 9	Cytotoxicity against human A549 cells after 48 hrs by SRB assay Cytotoxicity against human A549 cells after 48 hrs by SRB assay	[PMID: 15921415]
AGS	IC₅₀	1.1 μg/mL Compound: 13	Antiproliferative activity against human AGS cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay Antiproliferative activity against human AGS cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay	[PMID: 36170798]
BC	IC₅₀	10.7 μg/mL Compound: 13	Antiproliferative activity against human BC cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay Antiproliferative activity against human BC cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay	[PMID: 36170798]
HCT-15	ED₅₀	26.18 μg/mL Compound: 9	Cytotoxicity against human HCT15 cells after 48 hrs by SRB assay Cytotoxicity against human HCT15 cells after 48 hrs by SRB assay	[PMID: 15921415]
HepG2	IC₅₀	3.3 μg/mL Compound: 13	Antiproliferative activity against human HepG2 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay Antiproliferative activity against human HepG2 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay	[PMID: 36170798]
L1210	IC₅₀	1.1 μg/mL Compound: 13	Antiproliferative activity against mouse L1210 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay Antiproliferative activity against mouse L1210 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay	[PMID: 36170798]
SK-MEL-2	ED₅₀	>30 μg/mL Compound: 9	Cytotoxicity against human SK-MEL-2 cells after 48 hrs by SRB assay Cytotoxicity against human SK-MEL-2 cells after 48 hrs by SRB assay	[PMID: 15921415]
SK-OV-3	ED₅₀	>30 μg/mL Compound: 9	Cytotoxicity against human SKOV3 cells after 48 hrs by SRB assay Cytotoxicity against human SKOV3 cells after 48 hrs by SRB assay	[PMID: 15921415]
XF498	ED₅₀	>30 μg/mL Compound: 9	Cytotoxicity against human XF498 cells after 48 hrs by SRB assay Cytotoxicity against human XF498 cells after 48 hrs by SRB assay	[PMID: 15921415]

In Vitro

Deoxytopsentin (compound 5) (10 μM; 240 nM) potently inhibits recombinant S. aureus PK with an IC₅₀ of 240 nM and exhibits significant selectivity for S. aureus PK over human PK isoforms at 10 μM^[1].
Deoxytopsentin displays in vitro antibacterial activity against both methicillin-susceptible and methicillin-resistant S. aureus strains, with activity comparable to or greater than oxacillin against three MRSA strains^[1].
Deoxytopsentin docks to the hydrophobic small interface binding pocket of MRSA PK, forming predicted π-stacking and hydrogen bond interactions with key amino acid residues in the pocket^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Chemical Information

CAS. Nr. 112515-42-1
Appearance Solid
Molecular Weight 326.35
Formel C₂₀H₁₄N₄O
Color Light yellow to yellow
SMILES

O=C(C1=CNC2=C1C=CC=C2)C3=NC=C(C4=CNC5=C4C=CC=C5)N3
Structure Classification
- Alkaloids
- Indole Alkaloids
Initial Source
- Marine natural products
- Sponge
Topsentia genitrix
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 100 mg/mL (306.42 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

3.0642 mL

15.3210 mL

30.6419 mL

5 mM

0.6128 mL

3.0642 mL

6.1284 mL

10 mM

0.3064 mL

1.5321 mL

3.0642 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molaritätsrechner

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.5 mg/mL (7.66 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 2.5 mg/mL (7.66 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (7.66 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (275 KB)
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Veale CG, et al. Synthetic analogues of the marine bisindole deoxytopsentin: potent selective inhibitors of MRSA pyruvate kinase. J Nat Prod. 2015;78(3):355-362. [Content Brief]

[2]. Saïd Achab, et al. A three-component coupling approach to the marine bis-indole alkaloids: Topsentin, deoxytopsentin and bromotopsentin. Tetrahedron Letters. Volume 37, Issue 31, 29 July 1996, Pages 5503-5506.

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	3.0642 mL	15.3210 mL	30.6419 mL	76.6049 mL
	5 mM	0.6128 mL	3.0642 mL	6.1284 mL	15.3210 mL
	10 mM	0.3064 mL	1.5321 mL	3.0642 mL	7.6605 mL
	15 mM	0.2043 mL	1.0214 mL	2.0428 mL	5.1070 mL
	20 mM	0.1532 mL	0.7660 mL	1.5321 mL	3.8302 mL
	25 mM	0.1226 mL	0.6128 mL	1.2257 mL	3.0642 mL
	30 mM	0.1021 mL	0.5107 mL	1.0214 mL	2.5535 mL
	40 mM	0.0766 mL	0.3830 mL	0.7660 mL	1.9151 mL
	50 mM	0.0613 mL	0.3064 mL	0.6128 mL	1.5321 mL
	60 mM	0.0511 mL	0.2553 mL	0.5107 mL	1.2767 mL
	80 mM	0.0383 mL	0.1915 mL	0.3830 mL	0.9576 mL
	100 mM	0.0306 mL	0.1532 mL	0.3064 mL	0.7660 mL

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Deoxytopsentin

Marine-Sourced Natural Product Library

MCE Bioactive Compound Library

Natural Product Library Plus

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Deoxytopsentin

Marine-Sourced Natural Product Library

MCE Bioactive Compound Library

Natural Product Library Plus

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Deoxytopsentin Related Classifications

HY-N15451 Related Classifications