Physicochemical Properties
| Molecular Formula | C65H118N22O20 |
| Molecular Weight | 1527.76782 |
| Exact Mass | 1526.89 |
| CAS # | 129198-88-5 |
| PubChem CID | 137700269 |
| Appearance | White to off-white solid powder |
| LogP | 2.648 |
| Hydrogen Bond Donor Count | 25 |
| Hydrogen Bond Acceptor Count | 30 |
| Rotatable Bond Count | 55 |
| Heavy Atom Count | 114 |
| Complexity | 3120 |
| Defined Atom Stereocenter Count | 14 |
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O.C(=O)(C(F)(F)F)O |
| InChi Key | LLNOFJJCOGGKCB-ZOUHFXOGSA-N |
| InChi Code | InChI=1S/C65H118N22O20.C2HF3O2/c1-31(2)28-43(83-51(94)34(7)76-54(97)38(17-11-13-25-67)78-53(96)37(68)16-10-12-24-66)60(103)80-40(19-15-27-75-65(72)73)55(98)79-39(18-14-26-74-64(70)71)56(99)81-41(20-22-46(69)89)57(100)82-42(21-23-47(90)91)58(101)87-50(36(9)88)62(105)86-49(33(5)6)61(104)84-44(30-48(92)93)59(102)77-35(8)52(95)85-45(63(106)107)29-32(3)4;3-2(4,5)1(6)7/h31-45,49-50,88H,10-30,66-68H2,1-9H3,(H2,69,89)(H,76,97)(H,77,102)(H,78,96)(H,79,98)(H,80,103)(H,81,99)(H,82,100)(H,83,94)(H,84,104)(H,85,95)(H,86,105)(H,87,101)(H,90,91)(H,92,93)(H,106,107)(H4,70,71,74)(H4,72,73,75);(H,6,7)/t34-,35-,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-;/m0./s1 |
| Chemical Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid;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
| ln Vitro | Ca/calmodulin-dependent protein kinase (CaMK) is a multifunctional serine/threonine kinase whose activity is regulated by Ca2+ signaling. It is flexible and known for its vital function in learning and memory. Recent studies have demonstrated that high amounts of several CaMK isoforms, especially CaMKII, are expressed in a variety of malignancies, such as lung, breast, prostate, and colon cancers. CaMKII phosphorylates roughly 40 different proteins, including enzymes, ion channels, kinases, and transcription factors, and plays a vital role in controlling the proliferation, differentiation, and survival of a variety of cancer cells [1]. |
| References |
[1]. The emerging role of CaMKII in cancer. Oncotarget. 2015 May 20;6(14):11725-34. |
Solubility Data
| Solubility (In Vitro) | H2O : ~50 mg/mL (~32.73 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (65.45 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 | 0.6545 mL | 3.2727 mL | 6.5455 mL | |
| 5 mM | 0.1309 mL | 0.6545 mL | 1.3091 mL | |
| 10 mM | 0.0655 mL | 0.3273 mL | 0.6545 mL |