Physicochemical Properties
| Molecular Formula | C32H36N6O12 |
| Molecular Weight | 696.66 |
| Exact Mass | 638.233 |
| CAS # | 305336-82-7 |
| PubChem CID | 99647972 |
| Appearance | Yellow to orange solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 989.0±65.0 °C at 760 mmHg |
| Flash Point | 551.9±34.3 °C |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.658 |
| LogP | 3.94 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 50 |
| Complexity | 1330 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)NC(=O)CC3=CC(=O)OC4=C3C=CC(=C4)OC |
| InChi Key | INOZJECNSBDPGT-WDNCENIBSA-N |
| InChi Code | InChI=1S/C32H36N6O12/c1-18(34-28(39)14-19-15-29(40)50-27-17-21(49-2)9-10-22(19)27)31(42)36-13-5-7-25(36)30(41)35-24(32(43)44)6-3-4-12-33-23-11-8-20(37(45)46)16-26(23)38(47)48/h8-11,15-18,24-25,33H,3-7,12-14H2,1-2H3,(H,34,39)(H,35,41)(H,43,44)/t18-,24-,25-/m0/s1 |
| Chemical Name | (2S)-6-(2,4-dinitroanilino)-2-[[(2S)-1-[(2S)-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]hexanoic 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 | Active fluorescence resonance energy transfer method is used to detect ACE2 activity after hydrolyzing the fluorescent peptide substrate Mca-AlaPro-Lys(Dnp)-OH [3]. |
| References |
[1]. Sex differences in renal angiotensin converting enzyme 2 (ACE2) activity are 17β-oestradiol-dependent and sex chromosome-independent. Biol Sex Differ. 2010;1(1):6. Published 2010 Nov 5. [2]. Urinary angiotensin converting enzyme 2 increases in patients with type 2 diabetic mellitus. Kidney Blood Press Res. 2015;40(2):101-110. |
Solubility Data
| Solubility (In Vitro) | DMSO: 50 mg/mL (71.77 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.59 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4354 mL | 7.1771 mL | 14.3542 mL | |
| 5 mM | 0.2871 mL | 1.4354 mL | 2.8708 mL | |
| 10 mM | 0.1435 mL | 0.7177 mL | 1.4354 mL |