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TP748

Alias: TP-748
TP748 is an isoxazole and a key intermediate in the complete synthesis of tetracycline.
TP748
TP748 Chemical Structure CAS No.: 951698-15-0
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
10mg
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Product Description
TP748 is an isoxazole and a key intermediate in the complete synthesis of tetracycline.
TP748 (CAS#: 951698-15-0) is a chemical compound that belongs to the isoxazole class and serves as a key intermediate in the synthesis of fully synthetic tetracyclines. With the molecular formula C15H18N2O2 and a molecular weight of 258.32, TP748 is a small organic molecule that provides a scaffold for the efficient construction of advanced antibiotic frameworks. As a synthetic building block, it enables the development of tetracycline analogs designed to overcome bacterial resistance. The compound is widely used in medicinal chemistry research for the synthesis of novel antibiotic agents. TP748 is available in high purity and is intended for research purposes only, not for human therapeutic use.
Biological Activity I Assay Protocols (From Reference)
Targets
TP748 does not have a defined biological target as it is a synthetic intermediate rather than a drug molecule. Its role in research is as a chemical building block for the construction of fully synthetic tetracycline antibiotics. The compound itself is not designed to interact with biological receptors or enzymes. Instead, it serves as a scaffold that enables the synthesis of tetracycline derivatives that target the bacterial ribosome, the classic target of tetracycline antibiotics. The pharmacological activity of TP748 is realized only after it is incorporated into more complex tetracycline structures through subsequent chemical synthesis steps.
ln Vitro
Enantioenriched (S)-allylamine 3, a crucial intermediary in the whole synthesis of tetracycline, may now be produced with a reliable, economical, and high-yield approach that has been established [1].
TP748 itself does not possess intrinsic biological activity as it is a synthetic intermediate rather than a pharmacologically active compound. Its in vitro activity is related to its utility as a chemical reagent in organic synthesis reactions, such as coupling, functionalization, and cyclization steps, to produce fully synthetic tetracycline antibiotics. The compound's chemical reactivity, rather than its biological activity, is the focus of in vitro studies. Researchers use TP748 to construct tetracycline scaffolds that are then evaluated for antibacterial activity against various bacterial strains.
ln Vivo
In vivo activity is not applicable to TP748, as it is a chemical intermediate used in organic synthesis rather than a pharmacologically active drug candidate. The compound is not intended for administration to animals or humans, and its biological effects in vivo have not been studied. Any in vivo activity would be associated with the final tetracycline antibiotics synthesized from TP748, not with the intermediate itself. TP748 is strictly a research chemical used for the synthesis of antibiotic compounds, and it does not possess therapeutic properties on its own.
Enzyme Assay
In vitro enzyme/receptor binding experiments are not applicable to TP748 because it is a synthetic intermediate rather than a biologically active compound. The compound is not designed to bind to enzymes or receptors. Instead, its characterization involves chemical analysis methods such as NMR spectroscopy, HPLC, and mass spectrometry to confirm its structure and purity. Researchers use these analytical techniques to verify the identity and quality of TP748 before using it in chemical synthesis. The compound's chemical properties, such as solubility and reactivity, are assessed in organic solvents rather than in biological assay systems.
Cell Assay
In vitro cellular experiments are not performed with TP748, as it is a chemical intermediate used in organic synthesis rather than a biologically active compound. The compound is not intended for cell-based assays, and its effects on cellular systems have not been studied. TP748 is used exclusively as a building block in the chemical synthesis of tetracycline antibiotics. Researchers handling TP748 follow standard chemical safety protocols for organic synthesis, including the use of appropriate personal protective equipment and working in a fume hood. The compound is stored under conditions that maintain its chemical stability.
Animal Protocol
In vivo animal experiments are not applicable to TP748, as it is a chemical intermediate rather than a pharmacologically active compound. The compound is not administered to animals, and its biological effects have not been studied in vivo. Any animal studies would be conducted with the final tetracycline antibiotics that are synthesized from TP748, not with the intermediate itself. TP748 is strictly a research chemical used for the synthesis of antibiotic compounds in the laboratory, and it does not have therapeutic applications that would warrant in vivo testing.
ADME/Pharmacokinetics
Pharmacokinetic properties are not applicable to TP748, as it is a chemical intermediate used in organic synthesis rather than a pharmacologically active drug candidate. The compound is not intended for administration to animals or humans, and its absorption, distribution, metabolism, and excretion have not been studied. TP748 is used exclusively as a building block in the chemical synthesis of tetracycline antibiotics. Its physicochemical properties, such as molecular weight (258.32) and solubility, are relevant to its handling in chemical reactions rather than to biological systems.
Toxicity/Toxicokinetics
Toxicological data for TP748 are limited, as the compound is a chemical intermediate rather than a drug candidate. Standard safety precautions for handling organic chemicals apply, including the use of personal protective equipment and working in a well-ventilated area. The compound is not intended for human consumption, and its toxicity profile has not been extensively characterized. Researchers handling TP748 should refer to the material safety data sheet (MSDS) for specific hazard information. The compound is typically stored at room temperature in a dry, well-ventilated area away from incompatible materials.
References
[1]. Wu-Yan Zhang, et al. Process Research and Development of TP-808: A Key Intermediate for the Manufacture of Synthetic Tetracyclines. Process Res. Dev. 2017, 21, 3, 377-386.
Additional Infomation
TP748 is a research chemical that has not entered clinical trials or received regulatory approval for therapeutic use. It is a key synthetic intermediate for the preparation of fully synthetic tetracycline antibiotics, a class of compounds designed to overcome bacterial resistance. The compound is exclusively used in medicinal chemistry research for the synthesis of novel antibiotic agents. Its value lies in its ability to serve as a versatile scaffold for constructing advanced tetracycline frameworks. Further pharmacological development would involve the synthesis and evaluation of tetracycline derivatives derived from TP748, not the intermediate itself.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C₁₅H₁₈N₂O₂;
Molecular Weight
258.32;
Exact Mass
258.136
CAS #
951698-15-0
PubChem CID
17756552
Appearance
White to off-white solid powder
Density
1.1±0.1 g/cm3
Boiling Point
367.3±42.0 °C at 760 mmHg
Flash Point
176.0±27.9 °C
Vapour Pressure
0.0±0.8 mmHg at 25°C
Index of Refraction
1.547
LogP
2.95
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Heavy Atom Count
19
Complexity
277
Defined Atom Stereocenter Count
1
SMILES
O1C(=CC(=N1)OCC1C=CC=CC=1)[C@H](C=C)N(C)C
InChi Key
NMTKAGBTRNHHDC-ZDUSSCGKSA-N
InChi Code
InChI=1S/C15H18N2O2/c1-4-13(17(2)3)14-10-15(16-19-14)18-11-12-8-6-5-7-9-12/h4-10,13H,1,11H2,2-3H3/t13-/m0/s1
Chemical Name
(1S)-N,N-dimethyl-1-(3-phenylmethoxy-1,2-oxazol-5-yl)prop-2-en-1-amine
Synonyms
TP-748
HS Tariff Code
2934.99.9001
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)
Solubility Data
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
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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