HuagongsheHuagongshe Chemistry Print Report · For research reference only
Mastoparan X
MP-X · MASTOPARAN X · INWKGIAAMAKKLL-NH2 · ILE-ASN-TRP-LYS-GLY-ILE-ALA-ALA-MET-ALA-LYS-LYS-LEU-LEU-NH2 · H-ILE-ASN-TRP-LYS-GLY-ILE-ALA-ALA-MET-ALA-LYS-LYS-LEU-LEU-NH2 · L-Leucinamide, L-isoleucyl-L-asparaginyl-L-tryptophyl-L-lysylglycyl-L-isoleucyl-L-alanyl-L-alanyl-L-methionyl-L-alanyl-L-lysyl-L-lysyl-L-leucyl-

Identifiers & Physical Properties
| CAS No. | 72093-22-2 |
|---|---|
| Molecular formula | C73H126N20O15S |
| Average molar mass | 1,556 g/mol |
| Monoisotopic mass | 1,554.94322457 g/mol |
| SMILES | CC[C@H](C)C(NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |
| InChIKey | FYJKBFOGJAVCAL-MRBAVNCWSA-N |
| PubChem CID | 5488554 |
| EC No. | 686-479-2 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 610 |
| Hydrogen bond donors | 20 |
| Hydrogen bond acceptors | 20 |
| Rotatable bonds | 54 |
| Heavy atoms | 109 |
| Formal charge | 0 |
| Complexity | 2,970 |
| Boiling point | 1797.4±65.0 °C(Predicted) |
| Density | 1+-.0.06 g/cm3(Predicted) |
| Storage conditions | -15°C |
| Solubility | DMF: 25 mg/mlDMSO: 25 mg/mlEthanol: 50 mg/mlPBS (pH 7.2): 1 mg/ml |
| Physical state | Lyophilized solid. |
| pKa (acidity coefficient) | 13.24±0.46(Predicted) |
| Color | White to off-white |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H317-H334 |
| GHS precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P285-P304+P341-P342+P311-P501 |
| Safety statements (S) | 22-24/25 |
Safety & Regulations
| GHS classification | DangerH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (100%) |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS08 |
| Safety statements (S) | 22-24/25 |
| GHS hazard statements | H317-H334 |
| GHS precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P285-P304+P341-P342+P311-P501 |
Applications & Uses
Uses
Has effects similar to mastoparan; binds with high affinity to calmodulin and inhibits sarcoplasmic reticulum calcium-ATPase