Physicochemical Properties
| Molecular Formula | C29H56N10O7 |
| Molecular Weight | 656.81774 |
| Exact Mass | 656.433 |
| CAS # | 171436-38-7 |
| Related CAS # | SLIGRL-NH2 TFA;2828432-39-7 |
| PubChem CID | 9831050 |
| Appearance | White to off-white solid powder |
| Density | 1.342g/cm3 |
| LogP | 1.794 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 22 |
| Heavy Atom Count | 46 |
| Complexity | 1050 |
| Defined Atom Stereocenter Count | 6 |
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N |
| InChi Key | SGPMJRPYYIJZPC-JYAZKYGWSA-N |
| InChi Code | InChI=1S/C29H56N10O7/c1-7-17(6)23(39-27(45)21(12-16(4)5)38-25(43)18(30)14-40)28(46)35-13-22(41)36-19(9-8-10-34-29(32)33)26(44)37-20(24(31)42)11-15(2)3/h15-21,23,40H,7-14,30H2,1-6H3,(H2,31,42)(H,35,46)(H,36,41)(H,37,44)(H,38,43)(H,39,45)(H4,32,33,34)/t17-,18-,19-,20-,21-,23-/m0/s1 |
| Chemical Name | (2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-methylpentanamide |
| 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 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) |
Biological Activity
| ln Vitro | SLIGRL-NH2 is an agonist of PAR-2 and MrgprC11 [1]. SLIGRL-NH2 inhibits L-NAME inhibition. SLIGRL-NH2 causes concentration-induced stress in endothelial cells in the presence of perivascular adipose tissue (PVAT), with an EC50 of 10 μM. Therefore, 20 μM is an acceptable "test" concentration for the peptide in other impact investigations. Designed to evaluate the preparational nature of ADRF release/action. In endothelium-free aortic formulations, SLIGRL-NH2 produces concentration contraction only when PVAT is present [+PVAT, -ENDO(endothelium)] [2]. |
| References |
[1]. Behavioral model of itch, alloknesis, pain and allodynia in the lower hindlimb and correlativeresponses of lumbar dorsal horn neurons in the mouse. Neuroscience. 2014 Apr 25;266:38-46. [2]. Perivascular adipose tissue-derived relaxing factors: release by peptide agonists via proteinase-activated receptor-2 (PAR2) and non-PAR2 mechanisms. Br J Pharmacol. 2011 Dec;164(8):1990-2002. |
Solubility Data
| Solubility (In Vitro) |
H2O : ~110 mg/mL (~167.47 mM) DMSO : ~100 mg/mL (~152.25 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.81 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 (3.81 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 3: ≥ 2.5 mg/mL (3.81 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. Solubility in Formulation 4: 100 mg/mL (152.25 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5225 mL | 7.6124 mL | 15.2249 mL | |
| 5 mM | 0.3045 mL | 1.5225 mL | 3.0450 mL | |
| 10 mM | 0.1522 mL | 0.7612 mL | 1.5225 mL |