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| Other Sizes |
| Targets |
4-Chloropyridine hydrochloride is used in the synthesis of thrombin inhibitors, compounds that have potent anticoagulant activity. Thrombin is a serine protease that plays a key role in the coagulation cascade, converting fibrinogen to fibrin and activating platelets. Thrombin inhibitors are used as anticoagulant therapies for conditions such as deep vein thrombosis, pulmonary embolism, and atrial fibrillation. The compound is also used to synthesize Botryllazine A, a pyrazine alkaloid that exhibits cytotoxicity against human tumor cells. As a synthetic intermediate, the compound itself is not a direct thrombin inhibitor but a building block for such agents.
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| ln Vitro |
utilized as a catalyst in the one-pot pyrrole/cyclization process of anthranilic acid to produce fluazolone derivatives.
As a synthetic intermediate, 4-Chloropyridine hydrochloride is not typically evaluated for direct in vitro biological activity against specific molecular targets. The compound serves as a precursor for thrombin inhibitors and other biologically active molecules rather than possessing intrinsic pharmacological activity. Its primary applications are in organic synthesis as a building block for drug discovery. Any biological activity observed would be incidental. |
| ln Vivo |
The compound itself is not typically evaluated for in vivo activity as it is a synthetic intermediate. Thrombin inhibitors and Botryllazine A synthesized from 4-Chloropyridine hydrochloride have been studied in various in vivo models. Thrombin inhibitors have shown efficacy in animal models of thrombosis, and Botryllazine A has demonstrated cytotoxicity against human tumor cells. The in vivo pharmacological profile of the final drug molecules depends on the specific functional groups introduced during subsequent synthetic steps.
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| Enzyme Assay |
Cell-free biochemical assays involving 4-Chloropyridine hydrochloride typically focus on its use as a synthetic reagent. In organic synthesis, the compound can be used as a building block for the preparation of various pyridine derivatives. A standard protocol for nucleophilic aromatic substitution involves treating the compound with nucleophiles (e.g., amines, alkoxides) in the presence of a base in an appropriate solvent. The chloro group at the 4-position of the pyridinium salt is activated toward nucleophilic attack. Reactions are monitored by TLC and products are characterized by NMR and mass spectrometry. The compound's purity is verified by HPLC or titration.
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| Cell Assay |
Cell-based assays are not typically performed with 4-Chloropyridine hydrochloride as the compound is a chemical reagent. For thrombin inhibitors or Botryllazine A synthesized from this intermediate, standard cell-based protocols would apply. For anticoagulant activity, assays may involve measuring thrombin inhibition in plasma or using chromogenic substrates. For cytotoxicity studies, tumor cell lines are treated with varying concentrations of the compound and cell viability is assessed by MTT or other assays. The intermediate itself may be used as a control.
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| Animal Protocol |
In vivo studies are not typically conducted with 4-Chloropyridine hydrochloride itself. For thrombin inhibitors synthesized using this intermediate, standard in vivo efficacy studies involve rodent models of thrombosis (e.g., arterial or venous thrombosis models). A typical protocol includes intravenous or oral administration of the test compound, followed by assessment of thrombus formation and bleeding time. For Botryllazine A, antitumor efficacy may be evaluated in mouse xenograft models.
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| ADME/Pharmacokinetics |
As a chemical reagent rather than a drug, comprehensive pharmacokinetic data for 4-Chloropyridine hydrochloride is not available. The compound's molecular weight is 150.01 g/mol and it is water-soluble due to its salt form. For drug molecules synthesized from this intermediate, ADME properties depend on the final structure. The pyridine core generally confers favorable physicochemical properties for drug development, including moderate polarity and hydrogen bonding capability.
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| Toxicity/Toxicokinetics |
Toxicological data specific to 4-Chloropyridine hydrochloride is limited. As with all halogenated heterocycles and chemical reagents, standard laboratory safety precautions should be observed when handling this compound. The compound may cause irritation upon skin or eye contact. For drug candidates synthesized using this intermediate, comprehensive toxicological evaluation is required as part of the drug development process.
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| Additional Infomation |
4-Chloropyridine hydrochloride is a research chemical and synthetic intermediate rather than an approved pharmaceutical agent. No clinical trials or regulatory approvals exist for this compound itself. It is commercially available from various chemical suppliers for research purposes only. The compound's primary value lies in its utility as a building block for the synthesis of thrombin inhibitors with potent anticoagulant activity and Botryllazine A, a pyrazine alkaloid with cytotoxicity against human tumor cells. Pyridine bases are used to synthesize over 50 drugs including antitumor agents, penicillins, vasodilators, and niacin esters. The compound is also employed as a catalyst in the synthesis of fluorazone derivatives.
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| Molecular Formula |
C5H5CL2N
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|---|---|
| Molecular Weight |
150.01
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| Exact Mass |
148.979
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| CAS # |
7379-35-3
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| PubChem CID |
81852
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| Appearance |
White to off-white solid powder
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| Boiling Point |
146.9ºC at 760 mmHg
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| Melting Point |
210 °C (subl.)(lit.)
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| Flash Point |
198 °C
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| LogP |
2.537
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
8
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| Complexity |
50
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[H+].C1=C(Cl)C=CN=C1.[Cl-]
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| InChi Key |
XGAFCCUNHIMIRV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H4ClN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H
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| Chemical Name |
4-chloropyridine;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| 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)
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| 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 | 6.6662 mL | 33.3311 mL | 66.6622 mL | |
| 5 mM | 1.3332 mL | 6.6662 mL | 13.3324 mL | |
| 10 mM | 0.6666 mL | 3.3331 mL | 6.6662 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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