For research use only. Not for therapeutic Use.
NOTA-AE105（Cat No.:I041120）is a radiolabeled peptide compound used in molecular imaging, particularly in positron emission tomography (PET) and other imaging techniques. It is designed to target specific receptors, such as the somatostatin receptor, which is overexpressed in various tumors. By conjugating the NOTA (1,4,7-triazacyclononane-1,4-diacetic acid) chelator to the AE105 peptide, this compound allows for the binding of a radiometal, facilitating targeted imaging of cancer cells. NOTA-AE105 holds potential in the early detection, diagnosis, and monitoring of certain cancers, providing valuable information for personalized treatment strategies.
| CAS Number | 1820563-84-5 |
| Synonyms | (3S)-3-[[2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |
| Molecular Formula | C72H102N16O20 |
| Purity | ≥95% |
| IUPAC Name | (3S)-3-[[2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C72H102N16O20/c1-42(2)30-51(64(100)83-55(68(104)85-58(41-90)71(107)108)34-46-36-76-49-17-10-9-16-48(46)49)79-65(101)54(33-45-19-21-47(91)22-20-45)80-63(99)50(18-11-23-75-72(73)74)78-70(106)57(40-89)84-67(103)53(32-44-14-7-4-8-15-44)81-66(102)52(31-43-12-5-3-6-13-43)82-69(105)56(35-60(93)94)77-59(92)37-86-24-26-87(38-61(95)96)28-29-88(27-25-86)39-62(97)98/h4,7-10,14-17,19-22,36,42-43,50-58,76,89-91H,3,5-6,11-13,18,23-35,37-41H2,1-2H3,(H,77,92)(H,78,106)(H,79,101)(H,80,99)(H,81,102)(H,82,105)(H,83,100)(H,84,103)(H,85,104)(H,93,94)(H,95,96)(H,97,98)(H,107,108)(H4,73,74,75)/t50-,51+,52+,53+,54+,55+,56+,57-,58+/m1/s1 |
| InChIKey | QYDKPVWTZOEIPR-WKDKGDAESA-N |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5CCCCC5)NC(=O)[C@H](CC(=O)O)NC(=O)CN6CCN(CCN(CC6)CC(=O)O)CC(=O)O |
