SETDB1-TTD-IN-1 TFA

Name: SETDB1-TTD-IN-1 TFA
Brand: MedChemExpress
SKU: HY-141539A
Rating: 4.5 (1 reviews)

Cat. No.: HY-141539A Purity: 99.77%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

SETDB1-TTD-IN-1 TFA is a potent, selective and endogenous binder competitive ligand of SET domain bifurcated protein 1 tandem tudor domain (SETDB1-TTD) that binds to TTD, with a K_d of 88 nM. SETDB1-TTD-IN-1 TFA increases SETDB1 methyltransferase activity. SETDB1-TTD-IN-1 TFA can be used for the research of biological functions and disease associations of SETDB1-TTD.

For research use only. We do not sell to patients.

SETDB1-TTD-IN-1 TFA Chemical Structure

Size	Stock	Quantity
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	Get quote
100 mg	Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

Other Forms of SETDB1-TTD-IN-1 TFA:

SETDB1-TTD-IN-1 Get quote

1 Publications Citing Use of MCE SETDB1-TTD-IN-1 TFA

•BMC Biol. 2024 Oct 23;22(1):246. [Abstract]

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•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All Histone Methyltransferase Isoform Specific Products:

View All Isoforms

EZH1 EZH2 DOT1L SMYD2 SMYD3 SUV39H2/KMT1B EHMT2/G9a/KMT1C EHMT1/GLP/KMT1D SETDB1/KMT2G SETD2/KMT3A NSD2/MMSET/WHSC1 SETD7/KMT7 SETD8/KMT5A PRMT1 PRMT3 PRMT4 PRMT5 PRMT6 PRMT7 PRMT8

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target

SETDB1/KMT2G

In Vitro

SETDB1-TTD-IN-1 (compound (R,R)-59) TFA shows some activity for 53BP1 and JMJD2A, with K_ds of 4.3 μM and 86 μM, respectively. SETDB1-TTD-IN-1 TFA does not show activity against 14 of the 16 tested tudor domains (K_d>100 μM)^[1].
SETDB1-TTD-IN-1 (2.5-40 μM) TFA efficiently and dose-dependently stabilizes the SETDB1-TTD protein in HEK293T cells^[1].
SETDB1-TTD-IN-1 (2.5-40 μM; 24 h) TFA significantly affected the expression of 72 genes in human acute monocytic leukemia THP-1 cells^[1].

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

Molecular Weight

583.60

Formula

C₃₀H₃₂F₃N₅O₄

Appearance

Solid

Color

White to off-white

SMILES

CN1C[C@@H](C2=CC=C(OCC3=CC=CC=C3)C=C2)C[C@@H](NC4=NC5=C(C(N4CC=C)=O)NC=C5)C1.OC(C(F)(F)F)=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, protect from light, stored under nitrogen

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (171.35 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	1.7135 mL	8.5675 mL	17.1350 mL
5 mM	0.3427 mL	1.7135 mL	3.4270 mL
10 mM	0.1714 mL	0.8568 mL	1.7135 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 (protect from light, stored under nitrogen). 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)

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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 (8.57 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% (20% SBE-β-CD in Saline)
Solubility: ≥ 5 mg/mL (8.57 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 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 5 mg/mL (8.57 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)

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, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.77%

Select Batch:

Data Sheet (274 KB) SDS (252 KB)

COA (250 KB) HNMR (153 KB) RP-HPLC (142 KB) LCMS (112 KB)

Handling Instructions (2659 KB)

References

[1]. Guo Y, et, al. Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew Chem Int Ed Engl. 2021 Apr 12;60(16):8760-8765. [Content Brief]

[2]. Uguen M, et, al. SETDB1 Triple Tudor Domain Ligand, (R, R)-59, Promotes Methylation of Akt1 in Cells. ACS Chem Biol. 2023 Aug 18;18(8):1846-1853. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.7135 mL	8.5675 mL	17.1350 mL	42.8376 mL
	5 mM	0.3427 mL	1.7135 mL	3.4270 mL	8.5675 mL
	10 mM	0.1714 mL	0.8568 mL	1.7135 mL	4.2838 mL
	15 mM	0.1142 mL	0.5712 mL	1.1423 mL	2.8558 mL
	20 mM	0.0857 mL	0.4284 mL	0.8568 mL	2.1419 mL
	25 mM	0.0685 mL	0.3427 mL	0.6854 mL	1.7135 mL
	30 mM	0.0571 mL	0.2856 mL	0.5712 mL	1.4279 mL
	40 mM	0.0428 mL	0.2142 mL	0.4284 mL	1.0709 mL
	50 mM	0.0343 mL	0.1714 mL	0.3427 mL	0.8568 mL
	60 mM	0.0286 mL	0.1428 mL	0.2856 mL	0.7140 mL
	80 mM	0.0214 mL	0.1071 mL	0.2142 mL	0.5355 mL
	100 mM	0.0171 mL	0.0857 mL	0.1714 mL	0.4284 mL