Physicochemical Properties
| Molecular Formula | C71H110N28O13 |
| Molecular Weight | 1563.84 |
| Exact Mass | 1562.88 |
| CAS # | 190673-58-6 |
| PubChem CID | 16158146 |
| Appearance | White to off-white solid powder |
| Density | 1.5±0.1 g/cm3 |
| Index of Refraction | 1.695 |
| LogP | -6.81 |
| Hydrogen Bond Donor Count | 26 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 55 |
| Heavy Atom Count | 112 |
| Complexity | 3000 |
| Defined Atom Stereocenter Count | 11 |
| SMILES | C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC2=CNC=N2)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N)N |
| InChi Key | UIBPZXXSPHGPDS-GUBPWTFESA-N |
| InChi Code | InChI=1S/C71H110N28O13/c1-41(75)60(103)91-48(15-5-8-24-72)62(105)94-52(19-12-28-85-71(79)80)66(109)99-57(33-46-36-83-40-89-46)69(112)98-56(32-45-35-82-39-88-45)61(104)86-37-58(101)90-54(30-43-20-22-47(100)23-21-43)67(110)95-49(16-6-9-25-73)63(106)93-51(18-11-27-84-70(77)78)64(107)92-50(17-7-10-26-74)65(108)97-55(29-42-13-3-2-4-14-42)68(111)96-53(59(76)102)31-44-34-81-38-87-44/h2-4,13-14,20-23,34-36,38-41,48-57,100H,5-12,15-19,24-33,37,72-75H2,1H3,(H2,76,102)(H,81,87)(H,82,88)(H,83,89)(H,86,104)(H,90,101)(H,91,103)(H,92,107)(H,93,106)(H,94,105)(H,95,110)(H,96,111)(H,97,108)(H,98,112)(H,99,109)(H4,77,78,84)(H4,79,80,85)/t41-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 |
| Chemical Name | (2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]hexanamide |
| Synonyms | P113; P 113; P-113 |
| 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 | P-113 has a minimum inhibitory concentration (MIC) of 3.13 µg/mL against Candida albicans[1]. |
| References |
[1]. The Interactions between the Antimicrobial Peptide P-113 and Living Candida albicans Cells Shed Light on Mechanisms of Antifungal Activity and Resistance. Int J Mol Sci. 2020 Apr 10;21(7):2654. |
Solubility Data
| Solubility (In Vitro) | H2O : ~100 mg/mL (~63.95 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (63.95 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 | 0.6395 mL | 3.1973 mL | 6.3945 mL | |
| 5 mM | 0.1279 mL | 0.6395 mL | 1.2789 mL | |
| 10 mM | 0.0639 mL | 0.3197 mL | 0.6395 mL |