| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
This compound does not have a defined pharmacological target. It is a chemical reagent used in organic synthesis. It contains a pyrazole ring and Boc-protected guanidine groups, making it a versatile building block for introducing guanidine functionalities into target molecules.
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|---|---|
| ln Vitro |
In vitro, N,N'-Di-Boc-1H-pyrazole-1-carboximidamide is used as a reagent in chemical reactions. It can be used to synthesize various compounds, including potential drug candidates. No specific pharmacological activities have been reported for the compound itself.
|
| ln Vivo |
In vivo, this compound is not used as a therapeutic agent. Its applications are confined to chemical synthesis.
|
| Enzyme Assay |
Non-cellular assays are not applicable for this compound. Its characterization involves analytical methods such as NMR, HPLC, and mass spectrometry.
|
| Cell Assay |
Cell-based assays are not performed with this compound as a test article.
|
| Animal Protocol |
In vivo animal studies are not conducted with this compound as a primary test agent.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data are not applicable for this compound.
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| Toxicity/Toxicokinetics |
As a chemical reagent, standard laboratory safety precautions should be followed. No specific toxicity data have been reported.
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| Additional Infomation |
N,N'-Di-Boc-1H-pyrazole-1-carboximidamide is a research chemical, not an approved drug. It is used as a biochemical reagent and as a sulfonylation reagent for organic synthesis and drug discovery.
|
| Molecular Formula |
C14H22N4O4
|
|---|---|
| Molecular Weight |
310.35
|
| Exact Mass |
310.164
|
| CAS # |
152120-54-2
|
| PubChem CID |
4428040
|
| Appearance |
Off-white to light brown solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Melting Point |
86-90ºC(lit.)
|
| Index of Refraction |
1.526
|
| LogP |
2.99
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
22
|
| Complexity |
449
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C(N([H])C(=NC(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])N1C([H])=C([H])C([H])=N1)=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
|
| InChi Key |
QFNFDHNZVTWZED-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6/h7-9H,1-6H3,(H,16,17,19,20)
|
| Chemical Name |
tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
|
| 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) |
DMSO: 100 mg/mL (322.22 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.06 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.06 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (8.06 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2222 mL | 16.1108 mL | 32.2217 mL | |
| 5 mM | 0.6444 mL | 3.2222 mL | 6.4443 mL | |
| 10 mM | 0.3222 mL | 1.6111 mL | 3.2222 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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