Physicochemical Properties
| Molecular Formula | C82H150N36O22 |
| Molecular Weight | 1992.29641389847 |
| Exact Mass | 1991.172 |
| CAS # | 667899-73-2 |
| PubChem CID | 171689227 |
| Appearance | White to off-white solid powder |
| LogP | -14.6 |
| Hydrogen Bond Donor Count | 37 |
| Hydrogen Bond Acceptor Count | 32 |
| Rotatable Bond Count | 79 |
| Heavy Atom Count | 140 |
| Complexity | 4010 |
| Defined Atom Stereocenter Count | 12 |
| SMILES | C(O)(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1N=CNC=1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)N |
| InChi Key | RLPPOYIZNQZTDS-PWZLSCLCSA-N |
| InChi Code | InChI=1S/C82H150N36O22/c1-46(2)33-58(113-67(127)43-105-72(132)52(19-6-11-27-85)109-63(123)39-100-61(121)37-103-70(130)50(17-4-9-25-83)110-65(125)41-104-73(133)53(22-14-30-96-80(89)90)112-64(124)40-101-69(129)49(88)44-119)74(134)106-42-66(126)111-51(18-5-10-26-84)71(131)102-36-60(120)99-38-62(122)108-47(3)68(128)114-54(20-7-12-28-86)75(135)115-56(24-16-32-98-82(93)94)77(137)118-59(34-48-35-95-45-107-48)78(138)116-55(23-15-31-97-81(91)92)76(136)117-57(79(139)140)21-8-13-29-87/h35,45-47,49-59,119H,4-34,36-44,83-88H2,1-3H3,(H,95,107)(H,99,120)(H,100,121)(H,101,129)(H,102,131)(H,103,130)(H,104,133)(H,105,132)(H,106,134)(H,108,122)(H,109,123)(H,110,125)(H,111,126)(H,112,124)(H,113,127)(H,114,128)(H,115,135)(H,116,138)(H,117,136)(H,118,137)(H,139,140)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t47-,49-,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-/m0/s1 |
| Chemical Name | (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic 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]. Core histones H2B and H4 are mobilized during infection with herpes simplex virus 1. J Virol. 2011 Dec;85(24):13234-52. |
Solubility Data
| Solubility (In Vitro) | H2O : ~100 mg/mL (~50.19 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (50.19 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 | 0.5019 mL | 2.5097 mL | 5.0193 mL | |
| 5 mM | 0.1004 mL | 0.5019 mL | 1.0039 mL | |
| 10 mM | 0.0502 mL | 0.2510 mL | 0.5019 mL |