| Field | Specification |
|---|---|
| Target | |
| Applications | |
| Molecular weight | |
| Molecular formula | C25H29IN6O3 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
HTH-02-006 inhibits NUAK2 with an IC50 of 126 nM and suppresses NUAK2-mediated signaling by reducing phosphorylation of its substrate MYPT1 at S445 and of downstream MLC. It shows growth-inhibitory efficacy in YAP-high cancer cells such as HuCCT-1 and SNU475, markedly suppresses YAP-induced hepatomegaly (reduced liver-to-body-weight ratio) in TetO-YAP S127A transgenic mice, and demonstrates antitumor efficacy in mice bearing HMVP2 prostate cancer allografts; it can be used to study liver and prostate cancer[1][2]. It is supplied as an off-white to light yellow solid (C25H29IN6O3, MW 588.44) at 99.42% purity.
Physical & Chemical Properties
| Molecular Formula | C25H29IN6O3 |
|---|---|
| Molecular Weight | 588.44 g/mol |
| Purity | 99.42% |
| Appearance | Solid |
| Color | Off-white to light yellow |
| SMILES | CCC(NC1=CC=CC(OC2=NC(NC3=CC=C(C=C3OC)N4CCN(CC4)C)=NC=C2I)=C1)=O |
| Target | NUAK2 |
| Signaling Pathway | Epigenetics; PI3K/Akt/mTOR; Stem Cell/Wnt |
| Solubility | In Vitro: DMSO: 100 mg/mL (169.94 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
NUAK2 126 nM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
[1]. Yuan WC, et al. NUAK2 is a critical YAP target in liver cancer. Nat Commun. 2018 Nov 16;9(1):4834.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 100 mg/mL (169.94 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | 2.5 mg/mL (4.25 mM); clear solution; requires sonication |
| How to prepare | Gives a clear solution at 2.5 mg/mL. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 2
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | 2.5 mg/mL (4.25 mM); clear solution; requires sonication |
| How to prepare | Gives a clear solution at 2.5 mg/mL. Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
HTH-02-006 inhibits NUAK2 kinase activity in vitro with an IC50 of 126 nM, measured as a dose-dependent reduction in [γ-32P]ATP incorporation into Sakamototide[1]. In SNU475 cells, HTH-02-006 (0.5-16 μM, 120 h) lowers phosphorylated MYPT1 (S445) and phosphorylated MLC levels, inhibiting actomyosin cytoskeleton activation[1]. HTH-02-006 (0.5-16 μM, 120 h) shows greater growth inhibition in YAP-high liver cancer cells (HuCCT-1, SNU475) than in YAP-low cells (HepG2, SNU398)[1]. In NUAK2 A236T/A236T knock-in HuCCT-1 cells (drug-resistant mutant), HTH-02-006 (0.5-16 μM, 120 h) has a reduced ability to inhibit MYPT1 phosphorylation and cell growth compared with wild-type HuCCT-1 cells[1]. HTH-02-006 (0.5-20 μM, 9 days) inhibits growth of LAPC-4, 22RV1, and HMVP2 prostate cancer cell spheroids in a dose-dependent manner, with IC50 values of 4.65 μM, 5.22 μM, and 5.72 μM, respectively[2]. In HMVP2 cells, HTH-02-006 (1-10 μM) prevents YAP activation and downregulates protein expression of the YAP target genes NUAK2 and c-MYC[2]. At 1-20 μM, HTH-02-006 slows wound closure, completely blocks invasion, and significantly reduces the area invaded by HMVP2 cell spheroids into Matrigel[2]. HTH-02-006 (10 μM, 72-96 h, medium change every 48 h) lowers the proliferation rate of cancer cells in 1 mm3 explants by nearly 50%[2].
In Vivo
HTH-02-006, dosed at 10 mg/kg i.p. twice daily for 14 days, suppresses YAP-induced hepatomegaly significantly, as shown by a reduced liver/body weight ratio, in TetO-YAP S127A transgenic mice[1]. In 6-week-old male FVB mice carrying subcutaneous allografts of HMVP2 prostate cancer cell spheroids, HTH-02-006 (10 mg/kg, i.p., twice daily, 20 days) significantly inhibits tumor growth[2].
| Animal Model | 8-week-old Nude mice were subcutaneously injected with 5 × 106 HuCCT-1 TetO-YAP S127A cells (mixed with 100 μl RPMI medium and 100 μl Matrigel) into the flanks[1] |
|---|---|
| Dosage | 10 mg/kg |
| Administration | i.p., twice daily, 14 days |
| Result | Suppressed YAP-induced hepatomegaly, as evidenced by reduced liver/body weight ratio. Decreased the number of proliferating hepatocytes, as shown by reduced Ki67-positive cell count. Dramatically reduced phosphorylation of MYPT1 at S445 in liver tissues. Showed no significant changes in body weight. Showed greater tumor regression with 176.2% TGI when combined with Osimertinib. |
| Animal Model | 6-week-old male FVB mice were subcutaneously inoculated with HMVP2 prostate cancer cell spheroids (derived from 2 × 105 HMVP2 cells per mouse)[2] |
|---|---|
| Dosage | 10 mg/kg |
| Administration | i.p., twice daily, 20 days |
| Result | Inhibited prostate cancer allograft growth. Reduced tumor cell proliferation, as shown by a significant decrease in the Ki67-positive proliferation index in tumor tissues. Downregulated NUAK2 protein expression in tumors. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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