| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Targets |
Hck-IN-1 targets the Nef:Hck complex with an IC50 of 2.8 μM and shows minimal activity against Hck alone (>20 μM). It is a direct HIV-1 Nef antagonist and binds to the pocket residue Asn126. The compound shows weak activity against other Src-family members (c-Src, Lck, Lyn) in vitro with IC50 values >20 μM.
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| ln Vitro |
Hck-IN-1 (compound B9) exhibits a low level of activity in vitro against other members of the Src family, with IC50 values for Lyn, Lck, and c-Src above 20 μM [1]. When B9 (1 μM; 8 days) is used, Nef-dependent SFK activation is totally inhibited at 1.0 μM [1]. Additionally, in a concentration-dependent way, Hck-IN-1 (0.1, 0.3, 1, 3 μM) prevents Nef-mediated increase of HIV-1 infectivity in the reporter cell line TZM-bl [1]. With an IC50 value of about 300 nM, Hck-IN-1 suppresses the reproduction of all 11 HIV-1 Nef chimeras in CEM-T4 cells, suggesting that this chemical has wide anti-HIV replication activity and obtains a range of HIV-1 Supported by Nef protein[1]..
Hck-IN-1 inhibits the replication of wild-type HIV-1 with an IC50 of 100-300 nM. It completely inhibits Nef-dependent SFK activation at 1.0 μM. The compound inhibits the replication of all eleven HIV-1 Nef chimeras with IC50 values of ~300 nM in CEM-T4 cells, demonstrating broad activity against HIV replication supported by a wide range of HIV-1 Nef proteins. |
| ln Vivo |
In vivo activity has not been extensively reported; as a research compound, its primary application is in vitro studies of HIV-1 Nef antagonism. The compound's antiretroviral activity suggests potential for in vivo efficacy, but specific animal model data are not detailed in the available literature.
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| Enzyme Assay |
Enzyme inhibition assays are performed using recombinant Hck kinase and the Nef:Hck complex. The compound is incubated with the enzyme and a peptide substrate in the presence of ATP. Inhibition of kinase activity is measured, and IC50 values are determined from dose-response curves. Selectivity against other Src-family kinases (c-Src, Lck, Lyn) is assessed similarly.
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: CEM-T4 cells Tested Concentrations: 1 μM Incubation Duration: 8 days Experimental Results: Complete inhibition of Nef-dependent SFK activation at a concentration of 1.0 μM. Cell-based assays are conducted using TZM-bl reporter cells or CEM-T4 cells. Cells are treated with Hck-IN-1 at concentrations ranging from 0.1 to 3 μM, and inhibition of Nef-mediated enhancement of HIV-1 infectivity is measured in a concentration-dependent manner. Viral replication inhibition is assessed, with IC50 values of ~300 nM determined for various HIV-1 Nef chimeras. |
| Animal Protocol |
In vivo animal studies have not been extensively reported for Hck-IN-1. As a research compound for HIV-1 Nef antagonism, its primary use is in vitro. Future in vivo studies could involve mouse models of HIV infection to evaluate the compound's ability to reduce viral load and mitigate infection severity.
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| ADME/Pharmacokinetics |
Hck-IN-1 has a molecular weight of 402.81 and is soluble in DMSO (12.5 mg/mL). Storage recommendations: powder at -20°C for up to 3 years; in solvent at -80°C for up to 2 years. The compound has a predicted boiling point of 703.1±70.0°C and density of 1.63±0.1 g/cm³. It is a yellow to orange solid.
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| Toxicity/Toxicokinetics |
Hck-IN-1 is a research compound not intended for human use. Resistance mechanisms involve mutations in the target kinase Hck, reducing drug binding; cross-resistance with other kinase inhibitors may occur. Monitoring of Hck and related kinases is suggested to detect resistance. The compound is a potential tool for studying host kinase pathways in HIV infection.
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| References | |
| Additional Infomation |
4-[(3-chlorophenyl)hydrazinomethylene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolethiocarboxamide is a C-nitro compound.
Hck-IN-1 is a selective Nef-dependent Hck inhibitor with antiretroviral activity. It is a direct and broad HIV-1 Nef antagonist that binds to pocket residue Asn126. The compound is supplied for research purposes only and is not approved for clinical use. Synonyms include Nef-IN-B9. |
| Molecular Formula |
C16H11CLN6O3S
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|---|---|
| Molecular Weight |
402.81493973732
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| Exact Mass |
402.03
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| CAS # |
1473404-51-1
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| PubChem CID |
4553981
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| Appearance |
Yellow to orange solid powder
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| LogP |
4.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
27
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| Complexity |
686
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=CC=CC(=C1)/N=N/C1C(N(C(N)=S)NC=1C1C=CC(=CC=1)[N+](=O)[O-])=O
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| InChi Key |
LEQSBTDRMOZWRP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H11ClN6O3S/c17-10-2-1-3-11(8-10)19-20-14-13(21-22(15(14)24)16(18)27)9-4-6-12(7-5-9)23(25)26/h1-8,21H,(H2,18,27)
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| Chemical Name |
4-[(3-chlorophenyl)diazenyl]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide
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| Synonyms |
HckIN1; Hck IN 1
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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) |
DMSO : ~12.5 mg/mL (~31.03 mM)
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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 | 2.4826 mL | 12.4128 mL | 24.8256 mL | |
| 5 mM | 0.4965 mL | 2.4826 mL | 4.9651 mL | |
| 10 mM | 0.2483 mL | 1.2413 mL | 2.4826 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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