Physicochemical Properties
| Molecular Formula | C119H212N46O26 |
| Molecular Weight | 2703.25 |
| Exact Mass | 2702.671 |
| CAS # | 1507930-54-2 |
| Related CAS # | TAT-Gap19 TFA |
| PubChem CID | 127021051 |
| Appearance | White to off-white solid powder |
| Density | 1.46±0.1 g/cm3(Predicted) |
| LogP | -14.2 |
| Hydrogen Bond Donor Count | 49 |
| Hydrogen Bond Acceptor Count | 39 |
| Rotatable Bond Count | 110 |
| Heavy Atom Count | 191 |
| Complexity | 5700 |
| Defined Atom Stereocenter Count | 21 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N |
| InChi Key | ALNCFPIRTLVJPY-LJFAJSDSSA-N |
| InChi Code | InChI=1S/C119H212N46O26/c1-5-67(3)93(111(188)160-78(34-14-20-56-124)100(177)152-77(33-13-19-55-123)106(183)163-88(65-69-28-8-7-9-29-69)110(187)162-87(113(190)191)35-15-21-57-125)165-109(186)86(48-51-92(170)171)161-112(189)94(68(4)6-2)164-108(185)85(47-50-90(128)168)159-99(176)76(32-12-18-54-122)151-101(178)79(37-23-59-142-115(131)132)154-103(180)81(39-25-61-144-117(135)136)155-104(181)82(40-26-62-145-118(137)138)157-107(184)84(46-49-89(127)167)158-105(182)83(41-27-63-146-119(139)140)156-102(179)80(38-24-60-143-116(133)134)153-98(175)75(31-11-17-53-121)150-97(174)74(30-10-16-52-120)149-96(173)73(36-22-58-141-114(129)130)148-91(169)66-147-95(172)72(126)64-70-42-44-71(166)45-43-70/h7-9,28-29,42-45,67-68,72-88,93-94,166H,5-6,10-27,30-41,46-66,120-126H2,1-4H3,(H2,127,167)(H2,128,168)(H,147,172)(H,148,169)(H,149,173)(H,150,174)(H,151,178)(H,152,177)(H,153,175)(H,154,180)(H,155,181)(H,156,179)(H,157,184)(H,158,182)(H,159,176)(H,160,188)(H,161,189)(H,162,187)(H,163,183)(H,164,185)(H,165,186)(H,170,171)(H,190,191)(H4,129,130,141)(H4,131,132,142)(H4,133,134,143)(H4,135,136,144)(H4,137,138,145)(H4,139,140,146)/t67-,68-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,93-,94-/m0/s1 |
| Chemical Name | (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-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]hexanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]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
| ln Vivo | In 4 month old male C57Bl6 mice, a single intravenous injection of TAT-Gap19 (55 mg/kg) causes a substantial immunological signal in the brain 24 hours later[1]. Mice treated with 100-200 mg thioacetamide (TAA)/kg body weight for eight weeks demonstrate considerably reduced collagen deposition and lowed quantities of α-SMA-positive cell area with TAT-Gap19 (1 mg/kg/day), an osmotic pump implanted in the peritoneal cavity[2]. |
| References |
[1]. The connexin43 mimetic peptide Gap19 inhibits hemichannels without altering gap junctional communication in astrocytes. Front Cell Neurosci. 2014 Oct 21;8:306. [2]. TAT-Gap19 and Carbenoxolone Alleviate Liver Fibrosis in Mice. Int J Mol Sci. 2018 Mar 12;19(3):817. [3]. Inhibition of astroglial connexin43 hemichannels with TAT-Gap19 exerts anticonvulsant effects in rodents. Glia. 2018 Aug;66(8):1788-1804. |
Solubility Data
| Solubility (In Vitro) | H2O : 50 mg/mL (18.50 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (36.99 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 | 0.3699 mL | 1.8496 mL | 3.6993 mL | |
| 5 mM | 0.0740 mL | 0.3699 mL | 0.7399 mL | |
| 10 mM | 0.0370 mL | 0.1850 mL | 0.3699 mL |