2. Cell Cycle/DNA Damage Metabolic Enzyme/Protease
  3. HSP Mitochondrial Metabolism
  4. TRAP1-IN-1

TRAP1-IN-1 (compound 35) is a potent and selective inhibitor of TRAP1，a mitochondrial isoform of Hsp90. TRAP1-IN-1 has >250-fold TRAP1 selectivity over Grp94，and disrupts TRAP1 tetramer stability，induces TRAP1 client protein degradation. TRAP1-IN-1 also inhibits mitochondrial complex I of oxidative phosphorylation OXPHOS，disrupts the mitochondrial membrane potential，and enhances glycolysis metabolism.

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TRAP1-IN-1 Chemical Structure

TRAP1-IN-1 Chemical Structure

CAS No. : 3031102-94-7

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Based on 1 publication(s) in Google Scholar

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Description

TRAP1-IN-1 (compound 35) is a potent and selective inhibitor of TRAP1，a mitochondrial isoform of Hsp90. TRAP1-IN-1 has >250-fold TRAP1 selectivity over Grp94，and disrupts TRAP1 tetramer stability，induces TRAP1 client protein degradation. TRAP1-IN-1 also inhibits mitochondrial complex I of oxidative phosphorylation OXPHOS，disrupts the mitochondrial membrane potential，and enhances glycolysis metabolism[1].

IC50 & Target

TRAP1, OXPHOS[1]
Molecular Weight

866.74

Formula

C45H39F7N2O4P2
CAS No.
Appearance

Solid

Color

White to off-white

SMILES

O=C(C1=C(O)C=CC(C(N2CC(C(F)=CC=C3)=C3C2)=O)=C1)N(C4)CC5=C4C=CC(OCCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)=C5.F[P-](F)(F)(F)(F)F
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

4°C, sealed storage, away from moisture

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvent & Solubility
In Vitro: 

DMSO : 200 mg/mL (230.75 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 1.1537 mL 5.7687 mL 11.5375 mL
5 mM 0.2307 mL 1.1537 mL 2.3075 mL
View the Complete Stock Solution Preparation Table

* 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 (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

  • Molarity Calculator

  • Dilution Calculator

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

Mass
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Concentration
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Volume
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Molecular Weight *

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

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Volume (start)

V1

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Concentration (final)

C2

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Volume (final)

V2

In Vivo:

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

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: ≥ 5 mg/mL (5.77 mM); Clear solution

    This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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.

    Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
  • Protocol 2

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

    Solubility: ≥ 5 mg/mL (5.77 mM); Clear solution

    This protocol yields a clear solution of ≥ 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 (50.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
%
DMSO +
% 
+
%
Tween-80 +
%
Saline
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
The co-solvents required include: DMSO, PEG300/PEG400, Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Purity & Documentation
References

Complete Stock Solution Preparation Table

* 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 (sealed storage, away from moisture). 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 1.1537 mL 5.7687 mL 11.5375 mL 28.8437 mL
5 mM 0.2307 mL 1.1537 mL 2.3075 mL 5.7687 mL
10 mM 0.1154 mL 0.5769 mL 1.1537 mL 2.8844 mL
15 mM 0.0769 mL 0.3846 mL 0.7692 mL 1.9229 mL
20 mM 0.0577 mL 0.2884 mL 0.5769 mL 1.4422 mL
25 mM 0.0461 mL 0.2307 mL 0.4615 mL 1.1537 mL
30 mM 0.0385 mL 0.1923 mL 0.3846 mL 0.9615 mL
40 mM 0.0288 mL 0.1442 mL 0.2884 mL 0.7211 mL
50 mM 0.0231 mL 0.1154 mL 0.2307 mL 0.5769 mL
60 mM 0.0192 mL 0.0961 mL 0.1923 mL 0.4807 mL
80 mM 0.0144 mL 0.0721 mL 0.1442 mL 0.3605 mL
100 mM 0.0115 mL 0.0577 mL 0.1154 mL 0.2884 mL
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TRAP1-IN-1 Related Classifications

Keywords:

TRAP1-IN-13031102-94-7HSPMitochondrial MetabolismHeat shock proteinsInhibitorinhibitorinhibit

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