Physicochemical Properties
| Molecular Formula | C49H76F6N10O17 |
| Molecular Weight | 1191.17497444153 |
| Exact Mass | 1076.536 |
| CAS # | 1262751-08-5 |
| Related CAS # | OVA Peptide(257-264);138831-86-4;OVA Peptide(257-264) acetate salt |
| PubChem CID | 71311993 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 33 |
| Heavy Atom Count | 75 |
| Complexity | 1780 |
| Defined Atom Stereocenter Count | 10 |
| SMILES | FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.O=C([C@H]([C@@H](C)CC)NC([C@H](CO)N)=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CC(C)C)=O)CCCCN)=O)CCC(=O)O)=O)CC1C=CC=CC=1)=O)CC(N)=O)=O)[C@@H](C)CC |
| InChi Key | BRUCWCULSHVYBQ-VPZPQSBKSA-N |
| InChi Code | InChI=1S/C45H74N10O13.C2HF3O2/c1-7-25(5)36(55-44(66)37(26(6)8-2)54-38(60)28(47)23-56)43(65)52-32(22-34(48)57)42(64)51-31(21-27-14-10-9-11-15-27)41(63)50-30(17-18-35(58)59)40(62)49-29(16-12-13-19-46)39(61)53-33(45(67)68)20-24(3)4;3-2(4,5)1(6)7/h9-11,14-15,24-26,28-33,36-37,56H,7-8,12-13,16-23,46-47H2,1-6H3,(H2,48,57)(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,61)(H,54,60)(H,55,66)(H,58,59)(H,67,68);(H,6,7)/t25-,26-,28-,29-,30-,31-,32-,33-,36-,37-;/m0./s1 |
| Chemical Name | (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]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 | TAP1-I- and C57BL/6 macrophages can process Crl-OVA and full-length OVA in distinct cellular compartments. Additionally, TAP-independent processing of MHC class I presentation is influenced by the protein background of the OVA epitope, OVA peptide (257-264). The TAP transporter presents the epitope in several ways: While the OVA peptide (257–264) in full-length ovalbumin is highly dependent on the TAP transporter, regardless of whether the native protein is coupled to polystyrene or the recombinant OVA is expressed in bacteria, the OVA peptide (257–264) in the MBPCrl-OVA or Crl-OVA bacterial fusion protein depends on the TAP transporter [1]. |
| References |
[1]. Major histocompatibility complex class I presentation of ovalbumin peptide 257-264 from exogenous sources: protein context influences the degree of TAP-independent presentation. Eur J Immunol. 1996 Nov;26(11):2790-9. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~116.05 mM) H2O : ~50 mg/mL (~46.42 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (1.93 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 20.8 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 | 0.8395 mL | 4.1975 mL | 8.3950 mL | |
| 5 mM | 0.1679 mL | 0.8395 mL | 1.6790 mL | |
| 10 mM | 0.0840 mL | 0.4198 mL | 0.8395 mL |