Physicochemical Properties
| Molecular Formula | C47H83N17O11 |
| Molecular Weight | 1062.26922 |
| Exact Mass | 1061.65 |
| CAS # | 138764-85-9 |
| Related CAS # | PACAP-38 (31-38), human, mouse, rat TFA |
| PubChem CID | 139270272 |
| Appearance | White to off-white solid powder |
| LogP | 3.417 |
| Hydrogen Bond Donor Count | 17 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 39 |
| Heavy Atom Count | 75 |
| Complexity | 1880 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | YJQRDMBVNVOBLN-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C47H83N17O11/c1-26(2)38(46(75)62-32(12-5-8-22-50)42(71)63-35(25-37(53)67)45(74)58-30(39(54)68)10-3-6-20-48)64-44(73)33(13-9-23-57-47(55)56)60-43(72)34(18-19-36(52)66)61-41(70)31(11-4-7-21-49)59-40(69)29(51)24-27-14-16-28(65)17-15-27/h14-17,26,29-35,38,65H,3-13,18-25,48-51H2,1-2H3,(H2,52,66)(H2,53,67)(H2,54,68)(H,58,74)(H,59,69)(H,60,72)(H,61,70)(H,62,75)(H,63,71)(H,64,73)(H4,55,56,57) |
| Chemical Name | N-[1-[[1-[[6-amino-1-[[4-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]pentanediamide |
| 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 | The human, mouse, dependent PACAP-38 (31-38) causes EGFR, HER2, and ERK tyrosine phosphorylation at 100 nM over a 2-minute period in NCI-H838 cells [1]. Human, mouse, and urine (100 nM; 30 minutes; NCI-H838 cells) treated with PACAP-38 (31-38) causes EGFR tyrosine phosphorylation, generates reactive oxygen species, and raises ROS levels by 51% [1]. NCI-H838 cells are stimulated to grow by PACAP-38 (31-38) PACAP-38 (31-38), human, mouse, and rat (300 nM; 48 hours) [1]. Through cAMP accumulation and an increase in solute free calcium, PACAP-38 (31-38), a human, mouse, toxin (0.01-10 nM; HEK 293 cells), stimulates neuronal expression endogenously. With an EC50 value of 0.81 nM, it inhibits PAC1 entry and causes a dose-dependent increase in intracellular Ca2+ concentration [2]. In SCG neuronal cultures, PACAP-38 (31-38), human, mouse, nozzle (0.01 nM; 48 h) efficiently rescues NPY [3]. PACAP-38 (31-38), Human, Mouse, Accountable (100 nM; 14 d) Generates NPY and catecholamine neurons that are sustainedly rescued [3 |
| Cell Assay |
Cell Viability Assay [1] Cell Types: NCI-H838 Cell Tested Concentrations: 10 nM Incubation Duration: 48 hrs (hours) Experimental Results: NCI-H838 cell number increased by 72%. Western Blot Analysis[1] Cell Types: 100 nM Tested Concentrations: 100 nM Incubation Duration: 2 minutes Experimental Results: Tyrosine phosphorylation of EGFR, HER2 and ERK increased by 377%, 299% and 216% respectively. |
| References |
[1]. PAC1 regulates receptor tyrosine kinase transactivation in a reactive oxygen species-dependent manner. Peptides. 2019 Oct;120:170017. [2]. The neuropeptide PACAP promotes the alpha-secretase pathway for processing the Alzheimer amyloid precursor protein. FASEB J. 2006 Mar;20(3):512-4. [3]. Pituitary adenylate cyclase-activating polypeptides, PACAP-38 and PACAP-27, regulation of sympathetic neuron catecholamine, and neuropeptide Y expression through activation of type I PACAP/VIP receptor isoforms. Ann N Y Acad Sci. 1996 Dec 26;805:204-16; discussion 217-8. |
Solubility Data
| Solubility (In Vitro) | H2O : ~100 mg/mL (~94.14 mM) |
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 :Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300:Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.9414 mL | 4.7069 mL | 9.4138 mL | |
| 5 mM | 0.1883 mL | 0.9414 mL | 1.8828 mL | |
| 10 mM | 0.0941 mL | 0.4707 mL | 0.9414 mL |