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H-Phg-ol

Alias: H-Phg-ol; (S)-(+)-2-Phenylglycinol
Cat No.:V37375 Purity: ≥98%
(S)-(+)-2-Phenylglycinol is a biochemical compound that can be used as a biomaterial or organic/chemical reagent for biomedical research.
H-Phg-ol
H-Phg-ol Chemical Structure CAS No.: 20989-17-7
Product category: Amino Acids
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
(S)-(+)-2-Phenylglycinol is a biochemical compound that can be used as a biomaterial or organic/chemical reagent for biomedical research.
H-Phg-ol, also known as (S)-(+)-2-Phenylglycinol or L-phenylglycinol, is a chiral amino alcohol derived from the non-proteinogenic amino acid phenylglycine. It has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. This compound is characterized by a primary amine and a primary alcohol functional group attached to a stereocenter bearing a phenyl group. It is typically supplied as a white to light yellow powder with a melting point of 75-79°C.
Biological Activity I Assay Protocols (From Reference)
Targets
H-Phg-ol is a chiral building block and biochemical reagent used in organic synthesis and biomedical research. It does not have a specific biological receptor target. Its primary applications include the synthesis of chiral, unsymmetrical bisoxazolines and as a reagent for the resolution of acids via easily hydrolyzed amides. The compound's chirality makes it valuable for preparing enantiomerically pure compounds and studying stereoselective biochemical processes.
ln Vitro
H-forms glycinol
In vitro activity for H-Phg-ol is not applicable as a standalone biological agent. It functions as a chemical reagent and chiral building block. It is not typically used directly in biological assays. Its value lies in the synthesis of other molecules, such as chiral ligands and pharmaceutical intermediates, that may possess biological activity. Amino acid derivatives have been studied as ergogenic supplements, but this is not a primary application for H-Phg-ol.
ln Vivo
In vivo activity data for H-Phg-ol as a standalone compound is not applicable. It is a research reagent and building block, not a drug candidate for direct administration. The compound may be used to synthesize molecules that are subsequently evaluated in animal models. The primary amine and alcohol functionalities make it a versatile intermediate for further chemical modifications to create target compounds for pharmaceutical research.
Enzyme Assay
In vitro protocols for H-Phg-ol are primarily synthetic. It is used as a starting material in organic synthesis, for example, in the preparation of chiral bisoxazoline ligands. Standard procedures involve its conversion to various derivatives through reactions of the amine or alcohol groups. It can also be used as a chiral resolving agent. Purity is typically ≥98%. The compound is soluble in DMSO and other organic solvents.
Cell Assay
Cell-based protocols are not applicable to H-Phg-ol as it is a synthetic building block and not typically used in cell culture. It is a chiral amino alcohol used as a reagent in organic synthesis. Biological testing would be performed on the final compounds synthesized from this intermediate. The compound should be handled as a standard laboratory chemical.
Animal Protocol
Animal studies are not conducted with H-Phg-ol directly. The compound may be used as a synthetic intermediate to prepare compounds for pharmaceutical research. Standard synthetic chemistry protocols are used to convert this intermediate into target molecules for potential in vivo evaluation. Any animal studies would be performed on the final drug candidates derived from this building block.
ADME/Pharmacokinetics
Pharmacokinetic properties of H-Phg-ol are not applicable as it is a research intermediate. The compound has a molecular weight of 137.18 g/mol, a calculated LogP of 0.42, and is soluble in DMSO. It has a melting point of 75-79°C and a boiling point of 261°C. Storage is recommended at -20°C for long-term stability. The compound is stable at room temperature for short periods during shipping.
Toxicity/Toxicokinetics
Limited toxicological data indicates H-Phg-ol can cause serious eye damage and severe skin burns. The compound is for research use only. Standard safety precautions for handling chemicals should be observed, including wearing protective equipment. In case of ingestion, do not induce vomiting. No specific systemic toxicity studies have been reported. It is not intended for human therapeutic use.
Additional Infomation
H-Phg-ol (CAS#: 20989-17-7) is also known as (S)-(+)-2-Phenylglycinol, L-2-phenylglycinol, and (2S)-2-amino-2-phenylethanol. Its molecular formula is C8H11NO. It is a chiral building block used in the synthesis of chiral ligands and as a resolving agent. It has no approved therapeutic indications and is not in clinical trials.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C8H11NO
Molecular Weight
137.1790
Exact Mass
137.084
CAS #
20989-17-7
PubChem CID
134797
Appearance
White to light yellow powder
Density
1.1±0.1 g/cm3
Boiling Point
261.0±0.0 °C at 760 mmHg
Melting Point
75-79ºC
Flash Point
125.3±21.8 °C
Vapour Pressure
0.0±0.5 mmHg at 25°C
Index of Refraction
1.572
LogP
0.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Heavy Atom Count
10
Complexity
89.3
Defined Atom Stereocenter Count
1
SMILES
O([H])C([H])([H])[C@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])[H]
InChi Key
IJXJGQCXFSSHNL-MRVPVSSYSA-N
InChi Code
InChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m1/s1
Chemical Name
(2S)-2-amino-2-phenylethanol
Synonyms
H-Phg-ol; (S)-(+)-2-Phenylglycinol
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.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 7.2897 mL 36.4485 mL 72.8969 mL
5 mM 1.4579 mL 7.2897 mL 14.5794 mL
10 mM 0.7290 mL 3.6448 mL 7.2897 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.

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.
/

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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