| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
|
| Targets |
This intermediate does not have a specific biological target. Its importance lies in its chiral structure, which allows the transfer of stereochemistry to final drug molecules. When incorporated into active pharmaceuticals, the resulting compounds may target viral enzymes or other proteins, but the intermediate itself is not biologically active.
|
|---|---|
| ln Vitro |
In vitro, this compound is used as a chiral building block in organic synthesis. It can undergo coupling reactions (e.g., Suzuki, Sonogashira) at the iodine position, while the hydroxyl group can be further functionalized. The fluorine atom enhances metabolic stability and lipophilicity of the final products. Its chemical reactivity and stereochemical purity are critical for successful synthesis.
|
| ln Vivo |
In vivo, this intermediate is not administered as a therapeutic agent. Its role is limited to the synthetic pathway leading to active drugs. Any in vivo activity is attributed to the final compounds, not to this intermediate. Research efforts focus on optimizing the chiral synthesis and ensuring enantiomeric excess.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to this intermediate. Standard characterization includes chiral HPLC to determine enantiomeric purity, NMR for structural confirmation, and MS for molecular weight. These analyses ensure that the compound meets specifications for subsequent synthetic steps.
|
| Cell Assay |
In vitro cellular assays are not performed on this intermediate because it is not a bioactive compound. It is used solely as a chemical precursor. The final drugs synthesized from it may be evaluated in cell‑based assays for antiviral activity, cytotoxicity, or other pharmacological effects.
|
| Animal Protocol |
In vivo animal studies are not conducted with this intermediate. The compound is a research chemical for organic synthesis, not a drug candidate. Animal studies would be performed on the therapeutic agents ultimately derived from it.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data are not available for this intermediate, as it is not intended for systemic administration. Its physical properties, such as solubility in organic solvents and stability, are characterized for synthetic purposes. No ADME studies have been performed.
|
| Toxicity/Toxicokinetics |
The compound is a laboratory chemical and should be handled with standard precautions. It may cause skin, eye, or respiratory irritation. No specific toxicological data are available. It is not intended for human use. Proper protective equipment is advised.
|
| Additional Infomation |
(alphaS)-5-Fluoro-2-iodo-alpha-methylbenzenemethanol is a chiral research intermediate used in the synthesis of antiviral drugs, particularly HIV integrase inhibitors. Its stereochemical purity is crucial for the activity of the final pharmaceuticals. It is not approved for clinical use and is available only for research purposes.
|
| Exact Mass |
265.96
|
|---|---|
| CAS # |
1454847-96-1
|
| PubChem CID |
89816628
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.812±0.06 g/cm3(Predicted)
|
| Boiling Point |
275.7±30.0 °C(Predicted)
|
| LogP |
2.2
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
|
| Complexity |
131
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
C[C@@H](C1=C(C=CC(=C1)F)I)O
|
| InChi Key |
GQGBQRLYBYFVAW-YFKPBYRVSA-N
|
| InChi Code |
InChI=1S/C8H8FIO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3/t5-/m0/s1
|
| Chemical Name |
(1S)-1-(5-fluoro-2-iodophenyl)ethanol
|
| 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
|
|---|
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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