Physicochemical Properties
| Molecular Formula | C93H159N35O24 |
| Molecular Weight | 2151.4777 |
| Exact Mass | 2150.23 |
| CAS # | 113731-96-7 |
| PubChem CID | 71308428 |
| Appearance | White to off-white solid powder |
| LogP | 4.055 |
| Hydrogen Bond Donor Count | 36 |
| Hydrogen Bond Acceptor Count | 32 |
| Rotatable Bond Count | 80 |
| Heavy Atom Count | 152 |
| Complexity | 4570 |
| Defined Atom Stereocenter Count | 17 |
| SMILES | C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=N)N)N |
| InChi Key | NHCJMYZDRROLEW-OFXZVSIYSA-N |
| InChi Code | InChI=1S/C93H159N35O24/c1-47(2)39-62(122-74(135)50(7)113-70(132)45-111-77(138)55(24-12-15-33-94)116-78(139)58(27-19-37-109-92(103)104)115-75(136)51(8)114-84(145)63(40-52-21-10-9-11-22-52)123-76(137)54(97)23-18-36-108-91(101)102)85(146)118-59(28-20-38-110-93(105)106)79(140)119-60(29-31-67(98)129)82(143)117-56(25-13-16-34-95)80(141)124-65(42-68(99)130)87(148)128-73(49(5)6)89(150)125-64(41-53-44-107-46-112-53)86(147)120-61(30-32-71(133)134)83(144)127-72(48(3)4)88(149)121-57(26-14-17-35-96)81(142)126-66(90(151)152)43-69(100)131/h9-11,21-22,44,46-51,54-66,72-73H,12-20,23-43,45,94-97H2,1-8H3,(H2,98,129)(H2,99,130)(H2,100,131)(H,107,112)(H,111,138)(H,113,132)(H,114,145)(H,115,136)(H,116,139)(H,117,143)(H,118,146)(H,119,140)(H,120,147)(H,121,149)(H,122,135)(H,123,137)(H,124,141)(H,125,150)(H,126,142)(H,127,144)(H,128,148)(H,133,134)(H,151,152)(H4,101,102,108)(H4,103,104,109)(H4,105,106,110)/t50-,51-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-/m0/s1 |
| Chemical Name | (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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]. Possible involvement of phospholipase D and protein kinase C in vascular growth induced by elevated glucose concentration. Hypertension. 1996 Aug;28(2):159-68. |
Solubility Data
| Solubility (In Vitro) | H2O : ~100 mg/mL (~46.48 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 10 mg/mL (4.65 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 | 0.4648 mL | 2.3240 mL | 4.6480 mL | |
| 5 mM | 0.0930 mL | 0.4648 mL | 0.9296 mL | |
| 10 mM | 0.0465 mL | 0.2324 mL | 0.4648 mL |