Physicochemical Properties
| Molecular Formula | C99H182F3N37O21 |
| Molecular Weight | 2283.73490953445 |
| Exact Mass | 2283.429 |
| CAS # | 2828432-37-5 |
| Related CAS # | COG 133;514200-66-9 |
| PubChem CID | 163336983 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 38 |
| Hydrogen Bond Acceptor Count | 32 |
| Rotatable Bond Count | 83 |
| Heavy Atom Count | 160 |
| Complexity | 4540 |
| Defined Atom Stereocenter Count | 17 |
| SMILES | C(F)(F)(F)C(=O)O.[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)C)CC(C)C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N)CC(C)C)CC1NC=NC=1 |
| InChi Key | YRYTWYOGXATSSP-BGJGLIJFSA-N |
| InChi Code | InChI=1S/C97H181N37O19.C2HF3O2/c1-50(2)40-67(76(100)137)127-89(150)72(45-55(11)12)130-82(143)64(30-23-37-114-95(105)106)122-78(139)60(26-17-19-33-98)120-79(140)62(28-21-35-112-93(101)102)123-87(148)70(43-53(7)8)129-81(142)61(27-18-20-34-99)121-80(141)63(29-22-36-113-94(103)104)124-88(149)71(44-54(9)10)131-90(151)73(46-59-47-111-49-117-59)132-91(152)74(48-135)133-77(138)57(15)118-85(146)69(42-52(5)6)128-83(144)65(31-24-38-115-96(107)108)126-92(153)75(56(13)14)134-84(145)66(32-25-39-116-97(109)110)125-86(147)68(41-51(3)4)119-58(16)136;3-2(4,5)1(6)7/h47,49-57,60-75,135H,17-46,48,98-99H2,1-16H3,(H2,100,137)(H,111,117)(H,118,146)(H,119,136)(H,120,140)(H,121,141)(H,122,139)(H,123,148)(H,124,149)(H,125,147)(H,126,153)(H,127,150)(H,128,144)(H,129,142)(H,130,143)(H,131,151)(H,132,152)(H,133,138)(H,134,145)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116);(H,6,7)/t57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-;/m0./s1 |
| Chemical Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]hexanamide;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
| Targets | IC50: 445 nM (nAChR)[2] |
| ln Vivo | The resolution of pulmonary fibrosis in mice treated with COG 133 (1 mg/kg; intratracheal injection; every other day; for 4 weeks) is impaired[3]. |
| Animal Protocol |
Animal/Disease Models: Male C57BL/6 mice (6weeks old) instilled with Bleomycin[3] Doses: 1 mg/kg Route of Administration: Intracheal administration; every other day; for 4 weeks Experimental Results: Did blunt the resolution of lung fibrosis. |
| References |
[1]. Apolipoprotein E COG 133 mimetic peptide improves 5-fluorouracil-induced intestinal mucositis. BMC Gastroenterol. 2012 Jul 13;12:35. [2]. Apolipoprotein E-derived peptides block alpha7 neuronal nicotinic acetylcholine receptors expressed in xenopus oocytes. J Pharmacol Exp Ther. 2006 Feb;316(2):835-42. [3]. Monocyte-derived alveolar macrophage apolipoprotein E participates in pulmonary fibrosis resolution. JCI Insight. 2020 Mar 12;5(5):e134539. |
Solubility Data
| Solubility (In Vitro) | H2O: 25 mg/mL (10.95 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (43.79 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 | 0.4379 mL | 2.1894 mL | 4.3788 mL | |
| 5 mM | 0.0876 mL | 0.4379 mL | 0.8758 mL | |
| 10 mM | 0.0438 mL | 0.2189 mL | 0.4379 mL |