| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
||
| 1g |
|
| Targets |
This intermediate does not have a specific biological target. It is a building block that introduces the triazine‑benzonitrile scaffold into drug candidates. The final products may target various enzymes, but the intermediate itself is not biologically active.
|
|---|---|
| ln Vitro |
In vitro, this compound is used in cross‑coupling reactions and nucleophilic substitutions to generate libraries of heterocyclic compounds. It is particularly useful for synthesizing anticancer agents and anti‑inflammatory drugs. Its chemical properties allow for diverse functionalization.
|
| ln Vivo |
In vivo, it is not administered as a therapeutic agent. Its role is confined to synthesis.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable. Standard analytical methods confirm purity and structure.
|
| Cell Assay |
In vitro cellular assays are not performed on this intermediate.
|
| Animal Protocol |
In vivo animal studies are not conducted.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data are not available.
|
| Toxicity/Toxicokinetics |
The compound is a laboratory chemical; handle with standard precautions. No specific toxicity data exist.
|
| Additional Infomation |
(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile is a research intermediate for kinase inhibitor synthesis. It is not approved for clinical use.
|
| Exact Mass |
215.06
|
|---|---|
| CAS # |
1197377-47-1
|
| PubChem CID |
44512900
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.5±0.1 g/cm3
|
| Boiling Point |
497.4±55.0 °C at 760 mmHg
|
| Flash Point |
254.6±31.5 °C
|
| Vapour Pressure |
0.0±1.3 mmHg at 25°C
|
| Index of Refraction |
1.643
|
| LogP |
-0.67
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
16
|
| Complexity |
288
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC(=C(C=C1C2=CN=C(N=N2)N)F)C#N
|
| InChi Key |
JXQHTMHBDHVPDQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H6FN5/c11-8-3-6(1-2-7(8)4-12)9-5-14-10(13)16-15-9/h1-3,5H,(H2,13,14,16)
|
| Chemical Name |
4-(3-amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
|
| 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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