Physicochemical Properties
| Molecular Formula | C42H58N10O12S2 |
| Molecular Weight | 959.10 |
| Exact Mass | 958.367 |
| CAS # | 309247-84-5 |
| PubChem CID | 166638345 |
| Appearance | White to off-white solid powder |
| LogP | -3.9 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 26 |
| Heavy Atom Count | 66 |
| Complexity | 1720 |
| Defined Atom Stereocenter Count | 9 |
| SMILES | C1C(C[C@H](NC([C@@H](NC(=O)[C@H](CC(N)=O)NC([C@H](CS)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2)=O)C)=O)C(N[C@H](C(NCC(N[C@@H](CS)C(O)=O)=O)=O)[C@@H](C)O)=O)=CC=CC=1 |
| InChi Key | ONSAAPXCOZQERN-HNGYRCOKSA-N |
| InChi Code | InChI=1S/C42H58N10O12S2/c1-22(35(56)48-28(17-25-12-7-4-8-13-25)39(60)52-34(23(2)53)41(62)45-19-33(55)47-31(21-66)42(63)64)46-37(58)29(18-32(43)54)50-40(61)30(20-65)51-38(59)27(16-24-10-5-3-6-11-24)49-36(57)26-14-9-15-44-26/h3-8,10-13,22-23,26-31,34,44,53,65-66H,9,14-21H2,1-2H3,(H2,43,54)(H,45,62)(H,46,58)(H,47,55)(H,48,56)(H,49,57)(H,50,61)(H,51,59)(H,52,60)(H,63,64)/t22-,23+,26-,27-,28-,29-,30-,31-,34-/m0/s1 |
| Chemical Name | (2R)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(2R)-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-sulfanylpropanoic 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
| ln Vitro | While abdominal-A and ultrabithorax are not necessary for the specification of CCAP interneurons, they are necessary to stop CCAP efferent neurons from dying from apoptosis [2]. |
| ln Vivo | The mosquito auxiliary pulsatile organ (APO), heart contraction rate, and hemolymph flow rate in the antennal region are all increased by CCAP, FMRFamide, and SALDKNFMRFamide [1]. |
| References |
[1]. CCAP and FMRFamide-like peptides accelerate the contraction rate of the antennal accessory pulsatile organs (auxiliary hearts) of mosquitoes. J Exp Biol. 2016 Aug 1;219(Pt 15):2388-95. [2]. The study of the Bithorax-complex genes in patterning CCAP neurons reveals a temporal control of neuronal differentiation by Abd-B. Biol Open. 2015 Aug 14;4(9):1132-42. |
Solubility Data
| Solubility (In Vitro) | H2O : ~0.67 mg/mL (~0.70 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.61 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 (2.61 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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 (2.61 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 | 1.0426 mL | 5.2132 mL | 10.4264 mL | |
| 5 mM | 0.2085 mL | 1.0426 mL | 2.0853 mL | |
| 10 mM | 0.1043 mL | 0.5213 mL | 1.0426 mL |