| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
BOP sodium salt specifically targets the integrin heterodimers α9β1 and α4β1. Integrins are cell surface receptors that mediate cell-cell and cell-extracellular matrix adhesion. The compound exhibits high affinity for these targets, with Kd values in the picomolar range. It shows little inhibitory activity against other integrins, including α4β7, α1β1, α2β1, α5β1, and αIIBβ3, demonstrating its high selectivity.
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| ln Vitro |
In vitro, BOP sodium salt functions as a potent and specific antagonist of α9β1 and α4β1 integrins. Its activity is characterized by picomolar-range Kd values in binding assays. The compound shows minimal inhibitory activity against other integrin subtypes, confirming its selectivity. These properties make it a valuable tool for studying integrin-mediated cellular processes in a cell-free context.
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| ln Vivo |
In vivo, BOP sodium salt has demonstrated the ability to rapidly and preferentially mobilize hematopoietic stem cells (HSCs) and progenitor cells. This effect is attributed to its antagonism of α4β1 and α9β1 integrins, which are involved in the retention of HSCs in the bone marrow niche. The compound shows little inhibitory activity against other integrins, indicating a targeted mechanism of action.
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| Enzyme Assay |
The activity of BOP sodium salt can be assessed using cell-free radioligand binding assays to determine its affinity for integrins α9β1 and α4β1. In these assays, the integrin protein is immobilized, and the compound's ability to displace a labeled ligand is measured to calculate the Kd. The compound's selectivity is confirmed by testing against a panel of other integrins, such as α4β7, α1β1, α2β1, α5β1, and αIIBβ3.
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| Cell Assay |
In vitro cell-based assays are performed to evaluate the functional antagonism of BOP sodium salt. Adhesion assays using cells expressing α4β1 or α9β1 integrins can measure the compound's ability to prevent cell attachment to immobilized ligands. Cell migration assays can also be employed to assess the inhibition of integrin-mediated cell movement. The compound's selectivity can be confirmed using cells expressing other integrins.
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| Animal Protocol |
In vivo animal experiments for BOP sodium salt focus on its ability to mobilize hematopoietic stem cells (HSCs). In mouse models, the compound is administered, and the number of HSCs and progenitor cells in the peripheral blood is measured over time. This demonstrates the compound's ability to disrupt the integrin-mediated retention of HSCs in the bone marrow.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) data for BOP sodium salt is not extensively detailed in the available literature. It is a small molecule that is typically formulated for research use. The compound should be stored as a powder at -20°C in a dry, dark environment.
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| Toxicity/Toxicokinetics |
Toxicological data for BOP sodium salt is not available in the public literature. As a research-grade compound, its safety profile has not been extensively characterized for therapeutic use. It is intended for research purposes only and is not for human use.
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| References |
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| Additional Infomation |
BOP sodium salt is a research-grade compound used for studying integrin biology and stem cell mobilization. It is a potent and selective dual α9β1/α4β1 integrin inhibitor with picomolar-range Kd values. It has not been approved for clinical use. All information is for research reference only and not for diagnostic or clinical use.
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| Molecular Formula |
C25H28N3NAO7S
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|---|---|
| Molecular Weight |
537.560496330261
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| Exact Mass |
537.154
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| CAS # |
1947348-42-6
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| PubChem CID |
124221752
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
37
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| Complexity |
893
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| Defined Atom Stereocenter Count |
2
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| SMILES |
S(C1C=CC=CC=1)(N1CCC[C@H]1C(N[C@H](C(=O)[O-])CC1C=CC(=CC=1)OC(N1CCCC1)=O)=O)(=O)=O.[Na+]
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| InChi Key |
PNMINTLPFWMZKM-VROPFNGYSA-M
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| InChi Code |
InChI=1S/C25H29N3O7S.Na/c29-23(22-9-6-16-28(22)36(33,34)20-7-2-1-3-8-20)26-21(24(30)31)17-18-10-12-19(13-11-18)35-25(32)27-14-4-5-15-27;/h1-3,7-8,10-13,21-22H,4-6,9,14-17H2,(H,26,29)(H,30,31);/q;+1/p-1/t21-,22-;/m0./s1
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| Chemical Name |
sodium;(2S)-2-[[(2S)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoate
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
H2O : ~125 mg/mL (~232.53 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 | 1.8603 mL | 9.3013 mL | 18.6026 mL | |
| 5 mM | 0.3721 mL | 1.8603 mL | 3.7205 mL | |
| 10 mM | 0.1860 mL | 0.9301 mL | 1.8603 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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