| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C22H22ClF3N4O |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Hu7691 is an orally active, selective inhibitor of Akt, with IC50 values of 4.0 nM, 97.5 nM and 28 nM against Akt1, Akt2 and Akt3, respectively. In mice, it inhibits tumor growth while reducing cutaneous toxicity[1]. It is supplied as a white to off-white solid (C22H22ClF3N4O, MW 450.88) at 99.91% purity.
Physical & Chemical Properties
| CAS Number | 2360523-76-6 |
|---|---|
| Molecular Formula | C22H22ClF3N4O |
| Molecular Weight | 450.88 g/mol |
| Purity | 99.91% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=C(N[C@@H]1CNCC[C@H]1C2=CC=C(F)C(F)=C2)C3=CC=C(C4=CC=NN4C)C=C3F.[H]Cl |
| Target | Akt1, Akt2, Akt3, PKA, PKCη, ROCK1, RSK1, p70S6K |
| Signaling Pathway | PI3K/Akt/mTOR; TGF-beta/Smad; Stem Cell/Wnt; Epigenetics; Cytoskeleton; Cell Cycle/DNA Damage; MAPK/ERK Pathway; Metabolic Enzyme/Protease |
| Solubility | In Vitro: DMSO: 100 mg/mL (221.79 mM; Requires sonication and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | 4°C, sealed storage, away from moisture. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
Akt1 4.0 nM (IC50) |
Akt2 97.5 nM (IC50) |
Akt3 28 nM (IC50) |
PKA 11 nM (IC50) |
PKCη 629 nM (IC50) |
ROCK1 354 nM (IC50) |
RSK1 756 nM (IC50) |
p70S6K 229 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.
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 (221.79 mM) | requires sonication and warming and heat to 60°C; 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); sealed storage, away from moisture; 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 + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 5 mg/mL (11.09 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (50.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 5 mg/mL (11.09 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (50.0 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 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 5 mg/mL (11.09 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (50.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
Hu7691 shows low inhibition against most kinases in the four families AGC, TK, TKL, and Lipid/Atypical (PKA (IC50=11 nM), PKCη (IC50=629 nM), ROCK1 (IC50=354 nM), RSK1 (IC50=756 nM), P70S6K (IC50=229 nM), SGK (IC50=1009 nM))[1]. Hu7691 (2.25-36 μM; 24 hours) effectively decreases the phosphorylation level of Akt (S473)[1]. B5 (10, 20, 30, and 40 μM; 72 h) shows low toxicity toward HaCaT cells, with an IC50 value of 15.2 μM[1]. Hu7691 significantly inhibits growth of 18 kinds of human tumor cells derived from different tissues (U87-MG, U251, A549, HepG2, HT-29, KHOS, MDA-MB-231, PC3, SKOV3 and so on), with an IC50 range of 0.6-27 μM. Hu7691 shows low antiproliferative activity against the normal cells HL7702 and HPDE6-C7, with IC50 values of 5.4 and 16.1 μM, respectively[1].
Western Blot Analysis[1]
| Cell Line | HaCaT cells |
|---|---|
| Concentration | 2.25, 4.5, 9, 18, 36 μM |
| Incubation Time | 24 hours |
| Result | Induced effective decrease of the phosphorylation level of Akt (S473). |
In Vivo
Hu7691 (12.5-50 mg/kg/day; i.g.; for 22 days) inhibits tumor growth in a dose-dependent manner[1]. In rats, oral Hu7691 at 15 mg/kg yields a T1/2 of 8.68 hours, with a Cmax of 171.17 ng/mL and an AUC of 2820.64 ng/mL h[1]. In rats, intravenous Hu7691 at 2 mg/kg gives a T1/2 of 6.24 hours, with a Cmax of 207.52 ng/mL and an AUC of 532.87 ng/mL h[1]. In beagle dog (male, 40 weeks old, 8-10 kg), oral Hu7691 at 20 mg/kg yields a T1/2 of 16.7 hours, with a Cmax of 905.65 ng/mL and an AUC of 36303 ng/mL h[1].
| Animal Model | Balb/c mice (nu/nu, female, 3-4 weeks old, 20-25 g) with 786-O and KHOS xenograft[1] |
|---|---|
| Dosage | 12.5, 25, 50 mg/kg |
| Administration | Oral; once daily for 22 days |
| Result | Showed dose-dependent tumor growth inhibition. |
| Animal Model | SD rats (male, 8 weeks old, 250-300 g)[1] |
|---|---|
| Dosage | 15 mg/kg (Pharmacokinetic Analysis) |
| Administration | Oral |
| Result | Had a T1/2 of 8.68 hours, a Cmax of 171.17 ng/mL and an AUC of 2820.64 ng/mL•h. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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