| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
||
| 1g |
|
| Targets |
This compound does not have a defined biological target as it is a synthetic intermediate rather than an active pharmaceutical ingredient. Its value lies in its chemical reactivity, allowing further functionalization at the pyrazole ring and the side chains. When incorporated into final drug candidates, the resulting molecules may target specific enzymes or receptors, but the intermediate itself is not biologically active.
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|---|---|
| ln Vitro |
In vitro, this compound is used as a starting material or reagent in chemical reactions to construct more complex heterocyclic structures. It participates in coupling reactions, nucleophilic substitutions, and condensations to generate libraries of pyrazole derivatives. Its activity is purely chemical; no direct biochemical or cellular effects are attributed to this intermediate. Biological assays are performed only on the final products synthesized from it.
|
| ln Vivo |
In vivo, this compound is not administered as a therapeutic agent. Its importance is restricted to the synthetic route leading to drug candidates. Any in vivo efficacy or pharmacokinetic properties are associated with the downstream active compounds, not with this intermediate itself. Research using this intermediate focuses on optimizing synthetic yields and purity rather than biological effects.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to this intermediate. Standard characterization includes high‑performance liquid chromatography (HPLC) for purity assessment, nuclear magnetic resonance (NMR) for structural confirmation, and mass spectrometry (MS) for molecular weight verification. These analytical methods ensure the compound meets the specifications required for subsequent synthetic steps.
|
| Cell Assay |
In vitro cellular assays are not performed on this intermediate because it is not intended for direct biological testing. However, the compound may be used to synthesize bioactive molecules that are later evaluated in cell‑based models. Its own cytotoxicity or cell permeability is irrelevant; rather, its chemical stability and reactivity are the primary concerns in cell culture medium if used as a precursor.
|
| 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. Any animal studies would be performed on the final pharmaceutical products derived from it. Therefore, no dosing, route of administration, or efficacy data exist for this intermediate in animal models.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to this intermediate, as it is not administered systemically. Its solubility, stability, and reactivity in organic solvents are characterized for synthetic purposes. The compound is typically handled in dimethyl sulfoxide (DMSO) or other organic solvents, and its partition coefficient (logP) may be estimated for synthetic planning but not for in vivo disposition.
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| Toxicity/Toxicokinetics |
The compound is classified as a laboratory chemical and should be handled with standard safety precautions. It may cause skin, eye, or respiratory irritation. No comprehensive toxicological studies have been reported because it is not a drug. Acute toxicity data are lacking, but it is not intended for human consumption. Proper personal protective equipment (PPE) should be used when handling.
|
| Additional Infomation |
1-Methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrile hydrochloride salt is a research chemical used as a building block in medicinal chemistry. It is particularly useful for constructing pyrazole‑containing kinase inhibitors and other heterocyclic drug candidates. The compound is not approved for clinical use and is available only for research purposes. Its CAS number is 1643141-20-1.
|
| Exact Mass |
186.067
|
|---|---|
| CAS # |
1643141-20-1
|
| PubChem CID |
138106110
|
| Appearance |
Typically exists as solid at room temperature
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
12
|
| Complexity |
171
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CNCC1=NN(C(=C1)C#N)C.Cl
|
| InChi Key |
HJPCRCYMQZBXDN-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H10N4.ClH/c1-9-5-6-3-7(4-8)11(2)10-6;/h3,9H,5H2,1-2H3;1H
|
| Chemical Name |
2-methyl-5-(methylaminomethyl)pyrazole-3-carbonitrile;hydrochloride
|
| 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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|---|
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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