2. Stem Cell/Wnt
  3. Hedgehog
  4. TAK-441

TAK-441 is a highly potent and orally active hedgehog (Hh) signaling inhibitor with an IC50value of 4.4 nM. TAK-441 has strong antitumor activity in solid tumors.

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

TAK-441 Chemical Structure

TAK-441 Chemical Structure

CAS No. : 1186231-83-3

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Based on 1 publication(s) in Google Scholar

TAK-441 Related Antibodies

Top Publications Citing Use of Products

  • Biological Activity

  • Purity & Documentation

  • References

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Description

TAK-441 is a highly potent and orally active hedgehog (Hh) signaling inhibitor with an IC50value of 4.4 nM. TAK-441 has strong antitumor activity in solid tumors[1][2][3].

IC50 & Target

IC50: 4.4 nM (Gli-luc reporter)[1]
In Vitro

TAK-441 (compound 11d) (0.03–1000 nM, 48 h) has potent activity in the Gli-luc reporter with an IC50 value of 4.4 nM and good solubility[1].
TAK-441 (0.03–1000 nM, 48 h) inhibits Gli1 mRNA with IC50 values of 0.0457 and 0.113 mg/ml in the tumor and skin, respectively[1].
TAK-441 (0.5-500 nM, 48-72 h) does not affect androgen withdrawal-induced Shh up-regulation or viability of LNCaP cells[3].
TAK-441 (0.5-500 nM, 48-72 h) leads to delayed castration-resistant progression of LNCaP xenografts by disrupting paracrine Hh signaling with the tumor stroma[3].

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

TAK-441 Related Antibodies

Cell Viability Assay[1]

Cell Line: NIH3T3/Gli-luc cells
Concentration: 0.03–1000 nM
Incubation Time: 48 h
Result: Showed acceptable solubility and potent Hh inhibitory activity.

Cell Cytotoxicity Assay[3]

Cell Line: LNCaP cells
Concentration: 0.5-500 nM
Incubation Time: 48-72 h
Result: Did not affect up-regulation of Shh of in vitro viability of LNCaP cells under androgen-deprivedconditionsin.

Western Blot Analysis[3]

Cell Line: LNCaP, C4-2, DU145 and PC3 cells
Concentration:
Incubation Time:
Result: Reflected androgen-responsive PCa and express both Shh and Dhh in LNCaP and C4-2 cells and reflect restricted Shh expression of CRPC in DU145 and PC3 cells.
In Vivo

TAK-441 (compound 11d) (oral; 10 mg/kg, 100 mg/kg) has favorable exposure and good oral absorption in BALB/c-nu/nu mice[1].
TAK-441 (oral, 1 and 25 mg/kg, QD for 14 days) has strong antitumor activity and can achieve dose-dependent plasma and tumor concentrations by improving the solubility of TAK-441 in Ptc1+/-p53-/- mice bearing medulloblastoma allografts[1].
TAK-441 (iv, 1 mg/kg; po, 10 mg/kg) is able to achieve sufficient exposure following oral administration in rats and dogs[1].
TAK-441 (oral; 1, 10, and 25 mg/kg) shows dose-dependent antitumor activity in xenografted mice, the IC50 value for the tumor growth inhibition is 0.075 mg/ml[1].
Pharmacokinetic Parameters of TAK-441 in BALB/c-nu/nu mice (oral and Alzet infusion administration; 100 mg/kg; single)[1].

Compd Mouse PK 10mg/kg Mouse PK 100mg/kg
Cmax (lg/mL) AUC (lgh/mL) Cmax (lg/mL) AUC (lgh/mL)
1 2.65 12.1 3.63 32.3
11d 5.62 28.3 21.5 206

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

Animal Model: rats and dogs[1]
Dosage: 1 mg/kg, 10 mg/kg
Administration: iv, 1 mg/kg; po, 10 mg/kg
Result:
Compd Mouse PK 10mg/kg
Vss(mL/kg) CL (mL/h/kg) AUC0–24h,iv(ng h/mL) AUC0–24h,po(ng h/mL) F (%)
Rat 681.6 ± 81.6 397.9 ± 10.1 2532.3 ± 69.1 8031.8 ± 1218.6 31.7
Dog 2181.3 ± 82.8 161.3 ± 35.6 5101.5 ± 685.5 45405.6 ± 5812.0 90.3 ± 8.8
Animal Model: BALB/c-nu/nu mice[1]
Dosage: 10 mg/kg, 100 mg/kg
Administration: oral; 10 mg/kg, 100 mg/kg
Result: Inhibits Gli1 mRNA in the tumor and skin with IC50 values of 0.0457 mg/mL and 0.113 mg/mL, respectively.
Animal Model: Ptc1+/-p53-/- mice[1]
Dosage: 1 and 25 mg/kg
Administration: oral, 1 and 25 mg/kg, QD for 14 days
Result: Showed strong antitumor activity and resulted in a dose-dependent PK profile by improving solubility.
Clinical Trial
Molecular Weight

576.56

Formula

C28H31F3N4O6
CAS No.
Appearance

Solid

Color

Off-white to light yellow

SMILES

O=C(C(N1C)=C(OCC(F)(F)F)C2=C1C=C(CC)N(CC(C3=CC=CC=C3)=O)C2=O)NC4CCN(C(CO)=O)CC4
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

-20°C, protect from light

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

Solvent & Solubility
In Vitro: 

DMSO : 100 mg/mL (173.44 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 1.7344 mL 8.6721 mL 17.3442 mL
5 mM 0.3469 mL 1.7344 mL 3.4688 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). 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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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: 2.5 mg/mL (4.34 mM); Clear solution; Need ultrasonic

    This protocol yields a clear solution of 2.5 mg/mL.

    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.

    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: 2.5 mg/mL (4.34 mM); Clear solution; Need ultrasonic

    This protocol yields a clear solution of 2.5 mg/mL. 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

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, . 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)

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
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 (protect from light). 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 1.7344 mL 8.6721 mL 17.3442 mL 43.3606 mL
5 mM 0.3469 mL 1.7344 mL 3.4688 mL 8.6721 mL
10 mM 0.1734 mL 0.8672 mL 1.7344 mL 4.3361 mL
15 mM 0.1156 mL 0.5781 mL 1.1563 mL 2.8907 mL
20 mM 0.0867 mL 0.4336 mL 0.8672 mL 2.1680 mL
25 mM 0.0694 mL 0.3469 mL 0.6938 mL 1.7344 mL
30 mM 0.0578 mL 0.2891 mL 0.5781 mL 1.4454 mL
40 mM 0.0434 mL 0.2168 mL 0.4336 mL 1.0840 mL
50 mM 0.0347 mL 0.1734 mL 0.3469 mL 0.8672 mL
60 mM 0.0289 mL 0.1445 mL 0.2891 mL 0.7227 mL
80 mM 0.0217 mL 0.1084 mL 0.2168 mL 0.5420 mL
100 mM 0.0173 mL 0.0867 mL 0.1734 mL 0.4336 mL
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TAK-441 Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

TAK-4411186231-83-3TAK441TAK 441Hedgehogoralhedgehog (Hh) signalingantitumorpyrrolo[3,2-c]pyridine derivativecanceradvanced nonhematologic malignancies carcinomabasal CellInhibitorinhibitorinhibit

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