Physicochemical Properties
| Molecular Formula | C34H38F3N5O7 |
| Molecular Weight | 685.690039157867 |
| Exact Mass | 685.272 |
| CAS # | 1276124-00-5 |
| Related CAS # | Endomorphin 2;141801-26-5 |
| PubChem CID | 137700452 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 49 |
| Complexity | 994 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | FC(C(=O)O)(F)F.O=C([C@@H]1CCCN1C([C@H](CC1C=CC(=CC=1)O)N)=O)N[C@H](C(N[C@H](C(N)=O)CC1C=CC=CC=1)=O)CC1C=CC=CC=1 |
| InChi Key | ONJAQAAWBPIPNC-ZLYCMTQRSA-N |
| InChi Code | InChI=1S/C32H37N5O5.C2HF3O2/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21;3-2(4,5)1(6)7/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41);(H,6,7)/t25-,26-,27-,28-;/m0./s1 |
| Chemical Name | (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic 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]. Pharmacological characterization of endomorphin-1 and endomorphin-2 in mouse brain. J Pharmacol Exp Ther. 1998 Aug;286(2):1007-13. |
Solubility Data
| Solubility (In Vitro) |
H2O : ~62.5 mg/mL (~91.15 mM) DMSO : ~6 mg/mL (~8.75 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 33.33 mg/mL (48.61 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4584 mL | 7.2919 mL | 14.5838 mL | |
| 5 mM | 0.2917 mL | 1.4584 mL | 2.9168 mL | |
| 10 mM | 0.1458 mL | 0.7292 mL | 1.4584 mL |