| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
αvβ6 6 nM (IC50)
|
|---|---|
| ln Vitro |
EMD527040 inhibits recombinant αvβ6's binding to fibronectin at 6 nM, while αvβ3 and αvβ5 integrins (IC5050) bind at >9.5 μM[1]. The attachment of αvβ6 expressing cells (UCLAP3 cells) to fibronectin is inhibited by EMD527040 at an IC50 of 1.6 μM, while αvβ3 and αvβ5 integrins had an IC50 of >50 μM[1].
|
| ln Vivo |
EMD527040 (intraperitoneal injection; 20–60 mg/kg; week 2–6) improves liver architecture and function by inducing downregulation of fibrogenic and upregulation of fibrolytic genes, attenuating bile ductular proliferation and peribiliary collagen deposition by 40–50%. EMD527040 markedly decreased the weights of the liver and spleen in Mdr2(Abcb4)-/-mice by 22% and 50%, respectively[1].
|
| Animal Protocol |
Animal/Disease Models: Male adult Wistar rats
Doses: 20-60 mg/kg Route of Administration: intraperitoneal (ip)injection; 20-60 mg/kg; week 2 to 6 after BDL (bile duct ligation) Experimental Results: Ameliorated fibrosis progression in rodents with biliary fibrosis. |
| References |
|
| Molecular Formula |
C29H32CL2N4O5
|
|---|---|
| Molecular Weight |
587.494185447693
|
| Exact Mass |
586.174
|
| CAS # |
851333-14-7
|
| PubChem CID |
69923410
|
| Appearance |
White to off-white solid powder
|
| LogP |
4.1
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
16
|
| Heavy Atom Count |
40
|
| Complexity |
776
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
C(C1C=C(Cl)C=C(Cl)C=1)(CC(=O)O)NC(=O)[C@@H](NC(=O)CCCCNC1N=CC=CC=1)COCC1C=CC=CC=1
|
| InChi Key |
JHJAHOCSWUTJGR-BBMPLOMVSA-N
|
| InChi Code |
InChI=1S/C29H32Cl2N4O5/c30-22-14-21(15-23(31)16-22)24(17-28(37)38)35-29(39)25(19-40-18-20-8-2-1-3-9-20)34-27(36)11-5-7-13-33-26-10-4-6-12-32-26/h1-4,6,8-10,12,14-16,24-25H,5,7,11,13,17-19H2,(H,32,33)(H,34,36)(H,35,39)(H,37,38)/t24?,25-/m0/s1
|
| Chemical Name |
3-(3,5-dichlorophenyl)-3-[[(2S)-3-phenylmethoxy-2-[5-(pyridin-2-ylamino)pentanoylamino]propanoyl]amino]propanoic acid
|
| 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 (170.22 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.26 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.26 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7022 mL | 8.5108 mL | 17.0216 mL | |
| 5 mM | 0.3404 mL | 1.7022 mL | 3.4043 mL | |
| 10 mM | 0.1702 mL | 0.8511 mL | 1.7022 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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