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| Other Sizes |
| Targets |
This compound does not possess a specific biological target of its own; its primary function is as a pharmaceutical intermediate for the synthesis of anticancer drugs. As the C-13 side-chain pharmacophore of paclitaxel and docetaxel, it contributes to the ability of these drugs to promote microtubule polymerization and stabilize already polymerized microtubules. It is a key building block in the synthesis of these important anticancer agents.
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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].
This compound is not a therapeutic agent itself, but it is a key intermediate in the synthesis of the anticancer drugs paclitaxel and docetaxel. These drugs promote microtubule polymerization and stabilize already polymerized microtubules, leading to cell cycle arrest and apoptosis in cancer cells. The compound's in vitro activity is related to its role as a building block for these active pharmaceutical ingredients. |
| ln Vivo |
This compound is not administered in vivo as a therapeutic agent itself. It is a pharmaceutical intermediate used in the synthesis of paclitaxel and docetaxel. These drugs are administered in vivo for the treatment of various cancers. The compound itself is for research and manufacturing use only and is not intended for direct therapeutic administration.
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| Enzyme Assay |
Non-cellular enzyme/receptor binding assays are not applicable to this compound as it is not a drug. Its use is as a pharmaceutical intermediate. A typical protocol involves its use in the synthesis of paclitaxel and docetaxel, where it is coupled to the baccatin core to form the final active pharmaceutical ingredient.
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| Cell Assay |
This compound is not used in cell-based assays as a therapeutic agent. Its role is as a pharmaceutical intermediate. It should be stored under appropriate conditions. It is a solid. Purity is typically high. The product is for research and manufacturing purposes only and is not intended for human or veterinary use.
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| Animal Protocol |
In vivo animal experiments do not involve this compound as a test article. It is a pharmaceutical intermediate used in the synthesis of paclitaxel and docetaxel. These drugs are tested in animal models for their anticancer efficacy. The intermediate itself is not administered to animals.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to this compound as it is not a drug. It is a small molecule (MW 217.65 g/mol) with the formula C9H12ClNO3. Its properties are relevant for chemical handling and storage rather than for systemic exposure or ADME studies. The compound is not designed to be bioavailable.
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| Toxicity/Toxicokinetics |
The toxicity of this compound is not extensively documented, as it is a pharmaceutical intermediate not intended for human or veterinary use. As with all chemical intermediates, standard laboratory safety precautions should be followed, including handling in a well-ventilated area with appropriate personal protective equipment (gloves, lab coat, safety glasses). The compound should be stored under appropriate conditions. It is not intended for diagnostic, therapeutic, or other medical applications.
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| References | |
| Additional Infomation |
(2R,3S)-3-phenylisoserine hydrochloride is an oxygen- and nitrogen-containing organic compound. Functionally, it is associated with β-amino acids.
(2R,3S)-3-Phenylisoserine hydrochloride is a chiral β-amino-α-hydroxy acid that constitutes the essential C-13 side-chain pharmacophore of the anticancer drugs paclitaxel (Taxol®) and docetaxel (Taxotere®). It is used as a pharmaceutical intermediate for the synthesis of these important anticancer agents. This compound is not a pharmaceutical and has no clinical trials or approved therapeutic status as a drug itself. |
| Molecular Formula |
C9H12CLNO3
|
|---|---|
| Molecular Weight |
217.65
|
| Exact Mass |
217.05
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| CAS # |
132201-32-2
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| PubChem CID |
14807870
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| Appearance |
White to off-white solid powder
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| Boiling Point |
400.3ºC at 760 mmHg
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| Melting Point |
222-224ºC (dec.)
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| Flash Point |
195.9ºC
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| Vapour Pressure |
3.98E-07mmHg at 25°C
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| LogP |
1.634
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
14
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| Complexity |
178
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| Defined Atom Stereocenter Count |
2
|
| SMILES |
Cl[H].O([H])[C@@]([H])(C(=O)O[H])[C@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])[H]
|
| InChi Key |
OTJZSGZNPDLQAJ-KZYPOYLOSA-N
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| InChi Code |
InChI=1S/C9H11NO3.ClH/c10-7(8(11)9(12)13)6-4-2-1-3-5-6;/h1-5,7-8,11H,10H2,(H,12,13);1H/t7-,8+;/m0./s1
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| Chemical Name |
(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;hydrochloride
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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: Please store this product in a sealed and protected environment, 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 | 4.5945 mL | 22.9727 mL | 45.9453 mL | |
| 5 mM | 0.9189 mL | 4.5945 mL | 9.1891 mL | |
| 10 mM | 0.4595 mL | 2.2973 mL | 4.5945 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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