Physicochemical Properties
| Molecular Formula | C44H61N11O10 |
| Molecular Weight | 904.02300 |
| Exact Mass | 903.46 |
| CAS # | 16875-11-9 |
| PubChem CID | 14694060 |
| Appearance | White to off-white solid powder |
| Density | 1.47g/cm3 |
| Index of Refraction | 1.684 |
| LogP | 0.951 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 22 |
| Heavy Atom Count | 65 |
| Complexity | 1700 |
| Defined Atom Stereocenter Count | 7 |
| SMILES | C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChi Key | ZZHVXIPXTCBVBE-POFDKVPJSA-N |
| InChi Code | InChI=1S/C44H61N11O10/c45-44(46)48-20-8-16-30(43(64)65)51-38(59)32(24-28-13-5-2-6-14-28)52-40(61)35-18-10-22-55(35)42(63)33(26-56)53-37(58)31(23-27-11-3-1-4-12-27)50-36(57)25-49-39(60)34-17-9-21-54(34)41(62)29-15-7-19-47-29/h1-6,11-14,29-35,47,56H,7-10,15-26H2,(H,49,60)(H,50,57)(H,51,59)(H,52,61)(H,53,58)(H,64,65)(H4,45,46,48)/t29-,30-,31-,32-,33-,34-,35-/m0/s1 |
| Chemical Name | (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-[[2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoic 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 Vitro | Bradykinin is a tissue-based system that has strong effects on the heart and kidneys. A highly sensitive amino-terminal directed radioimmunoassay that detects bradykinin-(1-7), bradykinin-(1-8) using high-performance liquid chromatography, and bradykinin-(1-9) was created in order to examine the regulation of this system. Bradykinin was identified using carboxyl-terminal guided radioimmunoassay in rat kidney and blood. Bradykinin-(1-9) (~100 fmol/g tissue wet weight) and Bradykinin-(1-7) (~70 fmol/g) are the two main bradykinin peptides found in the kidney. Of these, Bradykinin-(1-8) is detectable (~8 fmol/g) and Bradykinin-(4-9) (~12 fmol/g); Bradykinin-(2-9) and Bradykinin-(3-9) are below the detection limit. Bradykinin-(1–9) is only found in blood at extremely low concentrations (~2 fmol/ml), and the detection limit for other bradykinin peptides is exceeded. The angiotensin-converting enzyme (ACE) inhibitor perindopril administered with renal levels of bradykinin-1–8, bradykinin–9, and bradykinin–(1–7) roughly triples as well as reduces correlation. Bradykinin:(1–9) proportion. The aorta, adrenal glands, brain, adrenal glands, heart, and brown adipose tissue can all be treated with N-terminal guided radioimmunoassay. Bradykinin-(1-7) and bradykinin-(1-9) abundances for these tissues are comparable (16-340 fmol/g), although levels of bradykinin-(1-8) are lower[1]. |
| References |
[1]. Bradykinin peptides in kidney, blood, and other tissues of the rat. Hypertension. 1993 Feb;21(2):155-65. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~110.62 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.77 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 (2.77 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 (2.77 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 | 1.1062 mL | 5.5309 mL | 11.0617 mL | |
| 5 mM | 0.2212 mL | 1.1062 mL | 2.2123 mL | |
| 10 mM | 0.1106 mL | 0.5531 mL | 1.1062 mL |