Physicochemical Properties
| Molecular Formula | C115H185N43O29 |
| Molecular Weight | 2633.97012114525 |
| Exact Mass | 2633.435 |
| CAS # | 1404188-93-7 |
| PubChem CID | 146018956 |
| Appearance | White to off-white solid powder |
| LogP | -14.2 |
| Hydrogen Bond Donor Count | 49 |
| Hydrogen Bond Acceptor Count | 39 |
| Rotatable Bond Count | 98 |
| Heavy Atom Count | 187 |
| Complexity | 5720 |
| Defined Atom Stereocenter Count | 17 |
| SMILES | O=C([C@H](CCCCN)NC([C@H](CCCCN)NC([C@H](CCCNC(=N)N)NC(CNC([C@H](CC1C=CC(=CC=1)O)N)=O)=O)=O)=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@H](C(NCC(=O)O)=O)CC1C=CC(=CC=1)O)=O)C(C)C)=O)=O)CC1C=CC(=CC=1)O)=O)=O)CCC(=O)O)=O)CCCCN)=O)CC1C=CC(=CC=1)O)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)CCC(N)=O)=O)CCCNC(=N)N)=O)CCCNC(=N)N |
| InChi Key | JRFBJZYZNDUYJM-NOEVYFGRSA-N |
| InChi Code | InChI=1S/C115H185N43O29/c1-61(2)92(109(187)157-82(95(173)142-60-91(169)170)54-63-26-34-67(160)35-27-63)158-108(186)85(57-87(121)164)156-106(184)83(55-64-28-36-68(161)37-29-64)144-89(166)59-141-94(172)80(41-43-90(167)168)153-99(177)74(17-5-8-46-118)152-107(185)84(56-65-30-38-69(162)39-31-65)155-104(182)79(23-14-52-139-115(132)133)150-101(179)76(20-11-49-136-112(126)127)148-102(180)77(21-12-50-137-113(128)129)151-105(183)81(40-42-86(120)163)154-103(181)78(22-13-51-138-114(130)131)149-100(178)75(19-10-48-135-111(124)125)147-98(176)73(16-4-7-45-117)146-97(175)72(15-3-6-44-116)145-96(174)71(18-9-47-134-110(122)123)143-88(165)58-140-93(171)70(119)53-62-24-32-66(159)33-25-62/h24-39,61,70-85,92,159-162H,3-23,40-60,116-119H2,1-2H3,(H2,120,163)(H2,121,164)(H,140,171)(H,141,172)(H,142,173)(H,143,165)(H,144,166)(H,145,174)(H,146,175)(H,147,176)(H,148,180)(H,149,178)(H,150,179)(H,151,183)(H,152,185)(H,153,177)(H,154,181)(H,155,182)(H,156,184)(H,157,187)(H,158,186)(H,167,168)(H,169,170)(H4,122,123,134)(H4,124,125,135)(H4,126,127,136)(H4,128,129,137)(H4,130,131,138)(H4,132,133,139)/t70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,92-/m0/s1 |
| Chemical Name | (4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]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
| Targets | AMPAR[1] |
| References |
[1]. Interference with AMPA receptor endocytosis: effects on behavioural and neurochemical correlates of amphetamine sensitization in male rats. J Psychiatry Neurosci. 2014 May;39(3):189-99. [2]. Prolonged adenosine A1 receptor activation in hypoxia and pial vessel disruption focal cortical ischemia facilitates clathrin-mediated AMPA receptor endocytosis and long-lasting synaptic inhibition in rat hippocampal CA3-CA1 synapses: differential regulation of GluA2 and GluA1 subunits by p38 MAPK and JNK. J Neurosci. 2014 Jul 16;34(29):9621-43. |
Solubility Data
| Solubility (In Vitro) | H2O: 100 mg/mL (37.97 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (37.97 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 | 0.3797 mL | 1.8983 mL | 3.7966 mL | |
| 5 mM | 0.0759 mL | 0.3797 mL | 0.7593 mL | |
| 10 mM | 0.0380 mL | 0.1898 mL | 0.3797 mL |