Physicochemical Properties
| Molecular Formula | C43H66F3N13O12 |
| Molecular Weight | 1014.06 |
| Exact Mass | 1013.49 |
| CAS # | 2828433-22-1 |
| Related CAS # | Substance P(1-7);68060-49-1 |
| PubChem CID | 134694976 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 27 |
| Heavy Atom Count | 71 |
| Complexity | 1760 |
| Defined Atom Stereocenter Count | 7 |
| SMILES | C(N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)O)CC1C=CC=CC=1)(=O)[C@H](CCCCN)NC([C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)=O.C(F)(F)(F)C(=O)O |
| InChi Key | NGJNGAVSGJSPNQ-OSSAIMHMSA-N |
| InChi Code | InChI=1S/C41H65N13O10.C2HF3O2/c42-19-5-4-12-28(51-37(60)30-13-7-21-53(30)38(61)25(43)11-6-20-48-41(46)47)39(62)54-22-8-14-31(54)36(59)50-27(16-18-33(45)56)34(57)49-26(15-17-32(44)55)35(58)52-29(40(63)64)23-24-9-2-1-3-10-24;3-2(4,5)1(6)7/h1-3,9-10,25-31H,4-8,11-23,42-43H2,(H2,44,55)(H2,45,56)(H,49,57)(H,50,59)(H,51,60)(H,52,58)(H,63,64)(H4,46,47,48);(H,6,7)/t25-,26-,27-,28-,29-,30-,31-;/m0./s1 |
| Chemical Name | (2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid;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
| ln Vivo | Following SP injection, substance P(1–7) is shown to develop locally in the nigra and to operate as a very powerful antagonist against the reactions elicited by SP. It has been suggested that Substance P(1–7) regulates SP activities endogenously[1]. When Substance P(1-7) (1.0-4.0 pM) is injected concurrently with SP or SP(5-11) (0.1 nM), the unpleasant behaviors caused by SP or SP(5-11) are greatly reduced. These findings suggest that endogenously produced SP(1–7) may be able to influence how SP or SP(5–11) behave in the spinal cord[2]. |
| References |
[1]. The substance P(1-7) fragment is a potent modulator of substance P actions in the brain. Brain Res. 1990 Jun 25;521(1-2):316-20. [2]. Substance P(1-7) antagonizes substance P-induced aversive behaviour in mice. Neurosci Lett. 1988 Dec 19;95(1-3):281-5. |
Solubility Data
| Solubility (In Vitro) | H2O: 50 mg/mL (49.31 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (98.61 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 | 0.9861 mL | 4.9307 mL | 9.8613 mL | |
| 5 mM | 0.1972 mL | 0.9861 mL | 1.9723 mL | |
| 10 mM | 0.0986 mL | 0.4931 mL | 0.9861 mL |