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| Targets |
(1R,2R)-N-Boc-1,2-cyclohexanediamine does not have a defined pharmacological target as it is a chiral ligand and synthetic intermediate. The compound is widely used as an organocatalyst in the intramolecular desymmetrization of cyclohexanones to yield 2-azabicyclo[3.3.1]nonane. It also serves as a starting material in the synthesis of a chiral nickel catalyst applicable for the Michael addition reaction of 1,3-dicarbonyl compounds to yield nitroalkenes. Its primary function is in asymmetric catalysis.
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| ln Vitro |
No specific in vitro pharmacological activity data are available for (1R,2R)-N-Boc-1,2-cyclohexanediamine as it is a synthetic intermediate and chiral ligand. In research settings, the compound is used as a building block for synthesizing chiral catalysts and pharmaceutical compounds. Its activity is assessed in terms of enantioselectivity and catalytic efficiency in asymmetric reactions, rather than direct biological activity.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for (1R,2R)-N-Boc-1,2-cyclohexanediamine as a therapeutic agent. The compound is used exclusively as a chemical reagent and chiral building block. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic synthesis and catalysis research.
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| Enzyme Assay |
For non-cellular assays, (1R,2R)-N-Boc-1,2-cyclohexanediamine is characterized by standard analytical techniques including NMR, HPLC, and polarimetry to confirm identity, chemical purity, and enantiomeric purity. The compound has an optical activity of [α]/D -26±2° (c = 1 in chloroform) and an enantiomeric purity of ≥99.0% ee. Purity is typically ≥98%. Typical protocols involve using the compound as a chiral ligand or organocatalyst in asymmetric reactions.
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| Cell Assay |
For in vitro cell-based studies, (1R,2R)-N-Boc-1,2-cyclohexanediamine is not typically used as a direct test compound. It is a building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken. The compound should be stored in a sealed, protected environment away from light and moisture.
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| Animal Protocol |
For in vivo animal studies, (1R,2R)-N-Boc-1,2-cyclohexanediamine is not administered directly as a test compound. It is used in chemical synthesis to produce pharmaceutical candidates and catalysts that are subsequently evaluated in animal models. The compound can be formulated using vehicles such as DMSO:PEG300:Tween 80:Saline (10:40:5:45) if required.
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| ADME/Pharmacokinetics |
(1R,2R)-N-Boc-1,2-cyclohexanediamine has a molecular weight of 214.30 and formula C₁₁H₂₂N₂O₂. It has a density of 1.0±0.1 g/cm³, boiling point of 322.1±31.0°C, and LogP of 1.66. The compound has 2 hydrogen bond donors, 3 acceptors, and 3 rotatable bonds. Storage: powder at -20°C for 3 years or 4°C for 2 years; in solvent at -80°C for 6 months or -20°C for 1 month.
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| Toxicity/Toxicokinetics |
(1R,2R)-N-Boc-1,2-cyclohexanediamine is for research use only and not for human consumption. It is classified as a skin corrosive (Skin Corr. 1B) with signal word Danger. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including eyeshields, faceshields, and gloves should be worn. The compound has WGK 3 classification.
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| Additional Infomation |
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine is an amine.
(1R,2R)-N-Boc-1,2-cyclohexanediamine (CAS 146504-07-6) is also known as (1R,2R)-trans-N-Boc-1,2-cyclohexanediamine. It is a chiral diamine compound used as an organocatalyst in asymmetric synthesis and as a starting material for chiral nickel catalysts. The compound has garnered attention due to its unique structural properties and biological activities in organic synthesis. No clinical trials or therapeutic approvals exist. |
| Molecular Formula |
C11H22N2O2
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|---|---|
| Molecular Weight |
214.30
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| Exact Mass |
214.168
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| CAS # |
146504-07-6
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| PubChem CID |
1514390
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
322.1±31.0 °C at 760 mmHg
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| Melting Point |
117 °C
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| Flash Point |
148.6±24.8 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.488
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| LogP |
1.66
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
15
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| Complexity |
223
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(N([H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])N([H])[H])=O
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| InChi Key |
AKVIZYGPJIWKOS-RKDXNWHRSA-N
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| InChi Code |
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
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| Chemical Name |
tert-butyl N-[(1R,2R)-2-aminocyclohexyl]carbamate
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 4.6664 mL | 23.3318 mL | 46.6636 mL | |
| 5 mM | 0.9333 mL | 4.6664 mL | 9.3327 mL | |
| 10 mM | 0.4666 mL | 2.3332 mL | 4.6664 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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