| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
tert-Butyl (R)-N-benzyl-N-(2-chloropropyl)glycinate does not have a defined biological target. It is a glycine analogue and synthetic intermediate. The chloroalkyl moiety can serve as an alkylating agent; after deprotection, the secondary amine can act as a ligand for metal centers or as a nucleophile. When elaborated into larger molecules, the scaffold may target GPCRs, enzymes (e.g., proteases), or ion channels. The parent building block is not bioactive. It is classified as a Glycine derivative.
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| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
No in vitro biological activity data are available for this compound. It is not tested in cell viability, enzyme inhibition, or receptor binding assays as a primary test article. Any activity would arise after further chemical modification (e.g., conversion to a quaternary ammonium compound or incorporation into a drug candidate). No IC50 or EC50 values are reported. |
| ln Vivo |
No in vivo activity data are available. The compound has not been administered to animals for efficacy or safety assessment. It is exclusively a research chemical intermediate.
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| Enzyme Assay |
The compound is not used in direct enzyme/receptor binding assays. For chemical analysis, standard HPLC with a C18 column and UV detection at 210-254 nm is used. For chiral analysis, a chiral HPLC column (e.g., Chiralcel OD-H) can determine enantiomeric purity. NMR in CDCl3: characteristic signals for the benzyl group (7.2-7.4 ppm, singlet), tert-butyl (1.4-1.5 ppm), and chloropropyl (CH2Cl at ~3.5-3.6 ppm). No biological assays.
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| Cell Assay |
No cell-based protocols are established for this intermediate. For downstream drug candidates, typical cell-based assays might include: seeding cancer cells in 96-well plates (5,000 cells/well), treating with synthesized compounds (0.1-100 uM) for 48-72 hours, and measuring viability by MTT. The intermediate itself is not added to cells.
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| Animal Protocol |
No animal studies have been performed with this compound. For final molecules derived from it, in vivo efficacy studies might involve xenograft models in mice (e.g., subcutaneous tumor implantation followed by oral or intraperitoneal dosing of test compound at 10-100 mg/kg daily). No data exist for the building block.
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| ADME/Pharmacokinetics |
No PK data are available for this compound. As a glycine derivative with MW 297.82, logP predicted ~2.5-3.5. If administered, the tert-butyl ester would be hydrolyzed by esterases to the free acid. The chloropropyl group may undergo substitution with glutathione or other nucleophiles, leading to detoxification or activation. No ADME studies (oral bioavailability, half-life, clearance) have been reported. Solubility: DMSO ≥100 mg/mL, soluble in ethanol and chloroform. Liquid at room temperature.
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| Toxicity/Toxicokinetics |
Safety: May cause skin and eye irritation. Harmful if swallowed (estimated LD50 >2000 mg/kg). The chloropropyl group is a potential alkylating agent; handle with care. May cause respiratory irritation. Use standard PPE (gloves, goggles, lab coat, fume hood). Avoid inhalation of vapors. Keep away from strong oxidizing agents. Stable when stored at -20degC, sealed.
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| References |
[1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.
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| Additional Infomation |
This compound is not an approved drug and has no clinical trial history. It is a research chemical for organic synthesis and medicinal chemistry. The (R)-N-benzyl-N-(2-chloropropyl)glycine tert-butyl ester is used in the synthesis of chiral azetidine-2-carboxylic acid derivatives, which are rigid proline analogs with applications in peptide conformation restriction and drug discovery. The compound can undergo intramolecular cyclization (via displacement of chloride by the secondary amine) to form 4-substituted azetidin-2-ones (beta-lactams), which are key structures in antibiotic development (e.g., penicillins, cephalosporins). Thus, this intermediate is valuable for preparing beta-lactam antibiotics and other bioactive heterocycles. It is commercially available for research use only.
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| Molecular Formula |
C16H24CLNO2
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|---|---|
| Molecular Weight |
297.82026386261
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| Exact Mass |
297.149
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| CAS # |
888494-24-4
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| PubChem CID |
101791199
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| Appearance |
Light yellow to yellow liquid（Density：1.075±0.06 g/cm3）
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| LogP |
3.7
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
20
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| Complexity |
295
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@H](CN(CC1=CC=CC=C1)CC(=O)OC(C)(C)C)Cl
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| InChi Key |
KZTZQVGKKNYHST-CYBMUJFWSA-N
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| InChi Code |
InChI=1S/C16H24ClNO2/c1-13(17)10-18(11-14-8-6-5-7-9-14)12-15(19)20-16(2,3)4/h5-9,13H,10-12H2,1-4H3/t13-/m1/s1
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| Chemical Name |
tert-butyl 2-[benzyl-[(2R)-2-chloropropyl]amino]acetate
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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 |
| 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) |
DMSO: ≥ 122.5 mg/mL (411.32 mM)
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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 | 3.3577 mL | 16.7887 mL | 33.5773 mL | |
| 5 mM | 0.6715 mL | 3.3577 mL | 6.7155 mL | |
| 10 mM | 0.3358 mL | 1.6789 mL | 3.3577 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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