Physicochemical Properties
| Molecular Formula | C37H50N6O9 |
| Molecular Weight | 722.827709674835 |
| Exact Mass | 722.363 |
| CAS # | 69454-10-0 |
| PubChem CID | 121235584 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 1111.2±65.0 °C at 760 mmHg |
| Flash Point | 625.8±34.3 °C |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.582 |
| LogP | 3.23 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 19 |
| Heavy Atom Count | 52 |
| Complexity | 1250 |
| Defined Atom Stereocenter Count | 6 |
| SMILES | C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)N |
| InChi Key | FUSHTHSTTRFCPC-OBXVVNIGSA-N |
| InChi Code | InChI=1S/C37H50N6O9/c1-22(2)19-27(34(48)39-26(16-17-31(44)45)33(47)42-29(37(51)52)21-25-13-8-5-9-14-25)40-35(49)30-15-10-18-43(30)36(50)28(41-32(46)23(3)38)20-24-11-6-4-7-12-24/h4-9,11-14,22-23,26-30H,10,15-21,38H2,1-3H3,(H,39,48)(H,40,49)(H,41,46)(H,42,47)(H,44,45)(H,51,52)/t23-,26-,27-,28-,29-,30-/m0/s1 |
| Chemical Name | (4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxopentanoic 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 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
| References |
[1]. A monoclonal antibody directed against CLIP (ACTH 18-39). Anatomical distribution of immunoreactivity in the rat brain and hypophysis with quantification of the hypothalamic cell group. J Chem Neuroanat. 1990 Jul-Aug;3(4):297-308. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~138.35 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.46 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 (3.46 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 (3.46 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 | 1.3835 mL | 6.9173 mL | 13.8345 mL | |
| 5 mM | 0.2767 mL | 1.3835 mL | 2.7669 mL | |
| 10 mM | 0.1383 mL | 0.6917 mL | 1.3835 mL |