 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C72H102N22O18S2 |
| Molecular Weight | 1627.84689188004 |
| Exact Mass | 1626.718 |
| CAS # | 934461-40-2 |
| Related CAS # | POT-4 TFA |
| PubChem CID | 16158103 |
| Appearance | White to off-white solid powder |
| LogP | -2.9 |
| Hydrogen Bond Donor Count | 22 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 26 |
| Heavy Atom Count | 114 |
| Complexity | 3420 |
| Defined Atom Stereocenter Count | 14 |
| SMILES | S1C[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(=O)O)C(N[C@H](C(NCC(N[C@@H](C)C(N[C@@H](CC2=CNC=N2)C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)[C@@H](C)O)=O)CS1)=O)CCCNC(=N)N)=O)=O)=O)=O)CC1=CNC2C=CC=CC1=2)=O)=O)CCC(N)=O)=O)CC1=CN(C)C2C=CC=CC1=2)=O)C(C)C)=O)NC([C@H]([C@@H](C)CC)NC(C)=O)=O |
| InChi Key | WMEMLXDTLKSUOD-OGCOPIPOSA-N |
| InChi Code | InChI=1S/C72H102N22O18S2/c1-9-35(4)58(83-38(7)96)71(112)91-52-32-114-113-31-51(69(110)93-59(37(6)95)60(74)101)90-63(104)45(18-14-22-78-72(75)76)84-66(107)49(25-41-28-77-33-81-41)86-61(102)36(5)82-55(98)29-80-62(103)47(23-39-27-79-44-17-12-10-15-42(39)44)87-67(108)50(26-56(99)100)88-64(105)46(20-21-54(73)97)85-65(106)48(89-70(111)57(34(2)3)92-68(52)109)24-40-30-94(8)53-19-13-11-16-43(40)53/h10-13,15-17,19,27-28,30,33-37,45-52,57-59,79,95H,9,14,18,20-26,29,31-32H2,1-8H3,(H2,73,97)(H2,74,101)(H,77,81)(H,80,103)(H,82,98)(H,83,96)(H,84,107)(H,85,106)(H,86,102)(H,87,108)(H,88,105)(H,89,111)(H,90,104)(H,91,112)(H,92,109)(H,93,110)(H,99,100)(H4,75,76,78)/t35-,36-,37+,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-/m0/s1 |
| Chemical Name | 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-25-(3-amino-3-oxopropyl)-7-(3-carbamimidamidopropyl)-10-(1H-imidazol-4-ylmethyl)-19-(1H-indol-3-ylmethyl)-13-methyl-28-[(1-methylindol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-31-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic 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 Vitro | POT-4 is a cyclic peptide that demonstrates binding ability to C3, blocking cleavage to its active parts, C3a and C3b. It is a derivative of compstatin, a powerful C3 inhibitor[2]. |
| References |
[1]. Complement C3 inhibitor POT-4: Clinical Safety of Intravitreal Administration. ARVO Annual Meeting Abstract, 2009 Apr. [2]. Therapeutic targeting of the complement system in age-related macular degeneration: a review. Clin Exp Ophthalmol. Jan-Feb 2012;40(1):18-26. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 100 mg/mL (61.43 mM) H2O: 50 mg/mL (30.72 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (1.54 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (1.54 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (1.54 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.6143 mL | 3.0715 mL | 6.1431 mL | |
| 5 mM | 0.1229 mL | 0.6143 mL | 1.2286 mL | |
| 10 mM | 0.0614 mL | 0.3072 mL | 0.6143 mL |