For research use only. Not for therapeutic Use.
IYPTNGYTR acetate, a deamidation-sensitive signature peptide, is a deamidation product of Trastuzumab. IYPTNGYTR acetate can be used to monitor in vivo Trastuzumab metabolism[1].
IYPTNGYTR is deamidated at pH 7.5 and above, with a higher deamidation rate when the pH increases[1].
| Catalog Number | I044228 |
| Synonyms | acetic acid;(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
| Molecular Formula | C51H77N13O17 |
| Purity | ≥95% |
| InChI | InChI=1S/C49H73N13O15.C2H4O2/c1-5-24(2)38(51)44(72)59-34(21-28-12-16-30(66)17-13-28)47(75)62-19-7-9-35(62)43(71)61-40(26(4)64)46(74)58-33(22-36(50)67)41(69)55-23-37(68)56-32(20-27-10-14-29(65)15-11-27)42(70)60-39(25(3)63)45(73)57-31(48(76)77)8-6-18-54-49(52)53;1-2(3)4/h10-17,24-26,31-35,38-40,63-66H,5-9,18-23,51H2,1-4H3,(H2,50,67)(H,55,69)(H,56,68)(H,57,73)(H,58,74)(H,59,72)(H,60,70)(H,61,71)(H,76,77)(H4,52,53,54);1H3,(H,3,4)/t24-,25+,26+,31-,32-,33-,34-,35-,38-,39-,40-;/m0./s1 |
| InChIKey | VBBGOAPSAXADRL-YVCGPGJMSA-N |
| SMILES | CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)O)N.CC(=O)O |
| Reference | [1]. Bults P, et, al. LC-MS/MS-Based Monitoring of In Vivo Protein Biotransformation: Quantitative Determination of Trastuzumab and Its Deamidation Products in Human Plasma. Anal Chem. 2016 Feb 2;88(3):1871-7. |
