| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
This compound does not have a specific therapeutic target. As a cysteine analogue, it is used in peptide synthesis. It is also an adduct formed by the binding of benzene oxide to cysteine residues in hemoglobin. It has been found in red blood cells isolated from benzene-exposed rats and mice.
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|---|---|
| ln Vitro |
This compound is not a therapeutic agent and does not have direct in vitro activity in a pharmacological sense. Its value is as a research chemical and building block. It is a cysteine analogue and a biomarker for benzene exposure.
|
| ln Vivo |
This compound is not used in in vivo studies as a therapeutic agent. It is a research chemical used as a building block in peptide synthesis. The final peptide product, not this intermediate, would be the subject of in vivo testing.
|
| Enzyme Assay |
In vitro assays for this compound are not typical. It can be used as a standard in analytical chemistry to detect benzene exposure. For example, it can be quantified in blood samples using LC-MS/MS to assess exposure to benzene.
|
| Cell Assay |
This compound is not used in standard cell-based assays as a therapeutic agent. Its role is as a research chemical and building block. Its molecular weight is 197.26 g/mol, and its molecular formula is C₉H₁₁NO₂S. It is a cysteine analogue.
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| Animal Protocol |
In vivo, this compound is not administered as a drug. It is a research chemical. It is formed in the body as a result of benzene exposure and can be measured as a biomarker.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable as this is not a drug. It is a small molecule (MW 197.26 g/mol). Its properties are relevant for research use. It is a cysteine analogue and a biomarker for benzene exposure.
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| Toxicity/Toxicokinetics |
The toxicity of this compound is not extensively documented. As a research chemical, it should be handled with standard laboratory precautions. It is not intended for human or veterinary use. The specific target is Amino Acid Derivatives.
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| Additional Infomation |
S-Phenylcysteine is a cysteine analogue and a non-proteinogenic amino acid. It is an adduct formed by the binding of benzene oxide to cysteine residues in hemoglobin and is used as a biomarker for benzene exposure. It is not a pharmaceutical.
|
| Molecular Formula |
C9H11NO2S
|
|---|---|
| Molecular Weight |
197.25
|
| Exact Mass |
197.051
|
| CAS # |
34317-61-8
|
| PubChem CID |
119462
|
| Appearance |
White to off-white solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
361.5±37.0 °C at 760 mmHg
|
| Melting Point |
200 °C (dec.)(lit.)
|
| Flash Point |
172.4±26.5 °C
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.624
|
| LogP |
1.86
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
13
|
| Complexity |
169
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
S(C1C([H])=C([H])C([H])=C([H])C=1[H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[H]
|
| InChi Key |
XYUBQWNJDIAEES-QMMMGPOBSA-N
|
| InChi Code |
InChI=1S/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
|
| Chemical Name |
(2R)-2-amino-3-phenylsulfanylpropanoic acid
|
| 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 (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 | 5.0697 mL | 25.3485 mL | 50.6971 mL | |
| 5 mM | 1.0139 mL | 5.0697 mL | 10.1394 mL | |
| 10 mM | 0.5070 mL | 2.5349 mL | 5.0697 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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