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Purity: =98.98%
ACY-738 (ACY738) is a novel, potent, selective, brain penetrable and orally-bioavailable HDAC6 inhibitor with neuroprotective and anticancer activities. It also inhibits HDAC1, HDAC2, and HDAC3, with IC50s of 94, 128, and 218 nM; its IC50 for HDAC6 is 1.7 nM. In RN46A-B14 cells, ACY-738 (2.5 μM) raises the acetylated (lysine 40) fraction of α-tubulin. Cell death induced by ACY-738 (10 μM) is similar to that of FK228 and LBH589. ACY-738 has a selectivity of 60–1500 times greater than class I HDACs and low nanomolar potency when inhibiting HDAC6. ACY-738 stimulates mouse exploratory behaviors in unfamiliar but novel environments and causes dramatic increases in α-tubulin acetylation in the brain, unlike tubastatin A, a reference HDAC6 inhibitor with similar potency and peripheral activity but less brain bioavailability.
| Targets |
HDAC6 ( IC50 = 1.7 nM ); HDAC1 ( IC50 = 94 nM ); HDAC2 ( IC50 = 128 nM ); HDAC3 ( IC50 = 218 nM )
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| Enzyme Assay |
ACY-738 is a newly developed HDAC6 inhibitor that is highly selective, potent, and orally bioavailable. Its IC50 is 1.7 nM, and it also inhibits HDAC1, HDAC2, and HDAC3 at IC50s of 94, 128, and 218 nM.
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| Cell Assay |
In RN46A-B14 cells, ACY-738 (2.5 μM) raises the acetylated (lysine 40) fraction of α-tubulin.
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| Animal Protocol |
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| References |
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| Molecular Formula |
C14H14N4O2
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| Molecular Weight |
270.29
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| Exact Mass |
270.111
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| Elemental Analysis |
C, 62.21; H, 5.22; N, 20.73; O, 11.84
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| CAS # |
1375465-91-0
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| Related CAS # |
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| PubChem CID |
57381425
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Index of Refraction |
1.715
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| LogP |
0.24
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
20
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| Complexity |
345
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1=C([H])N=C(N=C1[H])N([H])C1(C2C([H])=C([H])C([H])=C([H])C=2[H])C([H])([H])C1([H])[H])N([H])O[H]
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| InChi Key |
LIIWIMDSZVNYHY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)
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| Chemical Name |
N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.70 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (7.70 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (7.70 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6997 mL | 18.4986 mL | 36.9973 mL | |
| 5 mM | 0.7399 mL | 3.6997 mL | 7.3995 mL | |
| 10 mM | 0.3700 mL | 1.8499 mL | 3.6997 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Selectivity, potency, and pharmacokinetic properties of HDAC6 inhibitors used in this study. Top row (a–c): dose-dependent enzymatic inhibition of recombinant HDAC1, HDAC2, HDAC3, and HDAC6 incubated with (a) tubastatin A, (b) ACY-738, or (c) ACY-775. Middle row: (d) heat map summary of IC50 values for the novel inhibitors ACY-738 and ACY-775 and reference compounds SAHA, MS-275, and ACY-1215 (n=2 per condition).Neuropsychopharmacology.2014 Jan;39(2):389-400. |
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Effects of HDAC6 inhibitors onα-tubulin acetylation at lysine 40 (K40) and histone H3 acetylation at lysine 9 (H3K9)Neuropsychopharmacology.2014 Jan;39(2):389-400. |
HDAC6 inhibitors ACY-738 and ACY-775 have antidepressant-like properties. Effects of HDAC6-selective inhibition in anxiety tests.Neuropsychopharmacology.2014 Jan;39(2):389-400. |
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