| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| Targets |
αvβ6
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|---|---|
| ln Vitro |
In precision sectioned lung sections (PCLS), bexotegrast (PLN-74809; 1.82 µM; intestinal 7 days) significantly decreased collagen type I alpha I (COL1A1) mRNA expression by 54%. There is less Smad2 phosphorylation in bexotegrast. In PCLS produced from fibrotic lungs, bexotegrast (1.82 µM; workstation 3 days) self-regulates up to a 71% reduction in Col1a1 mRNA expression [2]. αvβ6 integrin is totally blocked by bexotegrast. Approximately 50%[2]. LAP is labeled by normal human epithelial cells with an IC50 of 39.3 nM[2].
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| ln Vivo |
Bexotegrast (PLN-74809; sidewall; 100, 250, 500 mg/kg; twice daily; from day 7 to day 21) was provided at levels necessary to inhibit bleomycin-challenged cartilage interstitial fibrillar collagen deposition. Bexotegrast dosage
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| Animal Protocol |
Animal/Disease Models: C57BL/6 mice [2]
Doses: 100, 250, 500 mg/kg Route of Administration: Oral; strongly bursts Smad3 phosphorylation [2]. twice (two times) daily; from day 7 to day 21 Experimental Results: There was a dose-dependent significant reduction in interstitial fibrillar collagen deposition in mice challenged with bleomycin (3 units/kg). Dose-dependent blockade of Smad3 phosphorylation. |
| References |
[1]. Anindya Roy, et al. De novo design of highly selective miniprotein inhibitors of integrins αvβ6 and αvβ8. Nat Commun. 2023 Sep 13;14(1):5660.
[2]. Martin L Decaris, et al. Dual inhibition of αvβ6 and αvβ1 reduces fibrogenesis in lung tissue explants from patients with IPF. Respir Res. 2021 Oct 19;22(1):265. |
| Molecular Formula |
C27H36N6O3
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|---|---|
| Molecular Weight |
492.61
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| Exact Mass |
492.28
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| Elemental Analysis |
C, 65.83; H, 7.37; N, 17.06; O, 9.74
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| CAS # |
2376257-44-0
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| Related CAS # |
2376264-69-4 (R-isomer);2376257-44-0;2775365-40-5 (HCl);2775365-33-6 (fumarate); 2775365-31-4 (phosphate);
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| SMILES |
COCCN(CC[C@@H](C(O)=O)NC1=C(C=CC=C2)C2=NC=N1)CCCCC3=NC4=C(CCCN4)C=C3
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| InChi Key |
CWOFQJBATWQSHL-DEOSSOPVSA-N
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| InChi Code |
InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t24-/m0/s1
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| Chemical Name |
(S)-4-((2-methoxyethyl)(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl)amino)-2-(quinazolin-4-ylamino)butanoic acid
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| Synonyms |
PLN-74809; PLN 74809; PLN74809; Bexotegrast; Bexotegrast free base,
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| Solubility (In Vitro) |
DMSO : 250 mg/mL (507.50 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.22 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 20.8 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: ≥ 2.08 mg/mL (4.22 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 20.8 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: ≥ 2.08 mg/mL (4.22 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 | 2.0300 mL | 10.1500 mL | 20.3000 mL | |
| 5 mM | 0.4060 mL | 2.0300 mL | 4.0600 mL | |
| 10 mM | 0.2030 mL | 1.0150 mL | 2.0300 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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