 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C30H45N9O8 |
| Molecular Weight | 659.73400 |
| Exact Mass | 659.339 |
| CAS # | 23815-88-5 |
| PubChem CID | 11763739 |
| Appearance | White to off-white solid powder |
| LogP | -4.7 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 16 |
| Heavy Atom Count | 47 |
| Complexity | 1160 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)O |
| InChi Key | DXJRNQYAYGIHLF-VUBDRERZSA-N |
| InChi Code | InChI=1S/C30H45N9O8/c31-19(9-4-12-34-30(32)33)27(44)39-14-6-11-23(39)28(45)38-13-5-10-22(38)26(43)35-16-24(41)36-20(15-18-7-2-1-3-8-18)25(42)37-21(17-40)29(46)47/h1-3,7-8,19-23,40H,4-6,9-17,31H2,(H,35,43)(H,36,41)(H,37,42)(H,46,47)(H4,32,33,34)/t19-,20-,21-,22-,23-/m0/s1 |
| Chemical Name | (2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic 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
| ln Vivo | Bradykinin (1-6) is a persistent metabolite of bradykinin in rat urine. Bradykinin (BK) is particularly active on renal function as it is engaged in enhancing renal blood flow as well as diuresis and natriuresis [1]. |
| References |
[1]. Diuretic and natriuretic effect of ebelactone B in anesthetized rats by inhibition of a urinary carboxypeptidase Y-like kininase. Jpn J Pharmacol. 1994 May;65(1):79-82. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~151.58 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.79 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 (3.79 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 (3.79 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 | 1.5158 mL | 7.5789 mL | 15.1577 mL | |
| 5 mM | 0.3032 mL | 1.5158 mL | 3.0315 mL | |
| 10 mM | 0.1516 mL | 0.7579 mL | 1.5158 mL |