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| Other Sizes |
| Targets |
(1S,2R)-2-Amino-1,2-diphenylethanol is a potent and selective inhibitor of Histone deacetylase-3 (HDAC3). HDAC3 is an enzyme that removes acetyl groups from histone proteins, and its inhibition is a target for cancer and inflammatory diseases. The compound has been used in the synthesis of a specific anti-cancer drug.
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| ln Vitro |
(1S,2R)-(+)-2-Amino-1,2-diphenylethano is a precursor utilized in the asymmetric transfer hydrogenation of ketones catalyst. Greener amine synthesis is aided by it.
In vitro, (1S,2R)-2-amino-1,2-diphenylethanol is used as a biochemical reagent and chiral building block. As a potent and selective HDAC3 inhibitor, it is used in studies of epigenetic regulation and cancer research. It is used in asymmetric synthesis to produce enantiomerically pure compounds. |
| ln Vivo |
In vivo activity data for (1S,2R)-2-amino-1,2-diphenylethanol as a therapeutic agent are limited. As an HDAC3 inhibitor, it may have potential for the treatment of cancer and inflammatory diseases, but specific in vivo efficacy studies are not well-documented in the public literature.
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| Enzyme Assay |
For in vitro enzyme inhibition assays, (1S,2R)-2-amino-1,2-diphenylethanol is evaluated for HDAC3 inhibitory activity. Standard protocols involve incubating the compound with recombinant HDAC3 enzyme and a fluorogenic substrate. The deacetylase activity is measured, and IC₅₀ values are calculated from dose-response curves to quantify inhibitory potency.
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| Cell Assay |
For in vitro cell-based experiments, (1S,2R)-2-amino-1,2-diphenylethanol can be evaluated for its effects on histone acetylation and cell proliferation. Cancer cells are treated with the compound at various concentrations, and histone acetylation levels are measured by western blot. Cell viability and proliferation are assessed using MTT or resazurin-based assays.
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| Animal Protocol |
In vivo animal studies using (1S,2R)-2-amino-1,2-diphenylethanol are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For HDAC3 inhibitors derived from this building block, efficacy studies would typically be performed in mouse models of cancer or inflammation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (1S,2R)-2-amino-1,2-diphenylethanol as a standalone compound are not characterized in the literature. The compound is a solid and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
(1S,2R)-2-Amino-1,2-diphenylethanol is a research chemical and should be handled with appropriate laboratory safety precautions. As an amino alcohol, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications.
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| Additional Infomation |
(1S,2R)-2-Amino-1,2-diphenylethanol (CAS 23364-44-5) is primarily a research-grade chiral building block and HDAC3 inhibitor, not an FDA-approved pharmaceutical drug. Its primary applications are as a potent and selective HDAC3 inhibitor for epigenetic and cancer research, and as a chiral building block for asymmetric synthesis.
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| Molecular Formula |
C14H15NO
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|---|---|
| Molecular Weight |
213.28
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| Exact Mass |
213.115
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| CAS # |
23364-44-5
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| PubChem CID |
719822
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
374.3±37.0 °C at 760 mmHg
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| Melting Point |
142-144 °C(lit.)
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| Flash Point |
180.2±26.5 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.622
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| LogP |
2.28
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
16
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| Complexity |
195
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)O)N
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| InChi Key |
GEJJWYZZKKKSEV-KGLIPLIRSA-N
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| InChi Code |
InChI=1S/C14H15NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2/t13-,14+/m1/s1
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| Chemical Name |
(1S,2R)-2-amino-1,2-diphenylethanol
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.6887 mL | 23.4434 mL | 46.8867 mL | |
| 5 mM | 0.9377 mL | 4.6887 mL | 9.3773 mL | |
| 10 mM | 0.4689 mL | 2.3443 mL | 4.6887 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.
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