For research use only. Not for therapeutic Use.
PSMA I&S (TFA) is a precursor of the 99mTc-labeled PSMA-targeting ligand[1].
| Catalog Number | I042710 |
| Synonyms | (2S)-2-[[(1S)-1-carboxy-5-[[8-[[(5R)-5-carboxy-5-[[(2R)-2-[[(2R)-2-[[(2R)-3-hydroxy-2-[[(2R)-3-hydroxy-2-[[(2R)-3-hydroxy-2-[(2-sulfanylacetyl)amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2,2,2-trifluoroacetic acid |
| Molecular Formula | C61H83F3N10O23S |
| Purity | ≥95% |
| InChI | InChI=1S/C59H82N10O21S.C2HF3O2/c70-30-44(62-49(76)33-91)53(81)66-46(32-72)55(83)67-45(31-71)54(82)65-42(28-34-18-21-38(73)22-19-34)52(80)64-43(29-35-17-20-36-11-5-6-12-37(36)27-35)51(79)63-39(56(84)85)13-7-9-25-60-47(74)15-3-1-2-4-16-48(75)61-26-10-8-14-40(57(86)87)68-59(90)69-41(58(88)89)23-24-50(77)78;3-2(4,5)1(6)7/h5-6,11-12,17-22,27,39-46,70-73,91H,1-4,7-10,13-16,23-26,28-33H2,(H,60,74)(H,61,75)(H,62,76)(H,63,79)(H,64,80)(H,65,82)(H,66,81)(H,67,83)(H,77,78)(H,84,85)(H,86,87)(H,88,89)(H2,68,69,90);(H,6,7)/t39-,40+,41+,42-,43-,44-,45-,46-;/m1./s1 |
| InChIKey | FOEGHHIZXFEBBF-CWOBTLKXSA-N |
| SMILES | C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NC(CCCCNC(=O)CCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)CS.C(=O)(C(F)(F)F)O |
| Reference | [1]. Robu S, et, al. Preclinical Evaluation and First Patient Application of 99mTc-PSMA-I&S for SPECT Imaging and Radioguided Surgery in Prostate Cancer. J Nucl Med. 2017 Feb;58(2):235-242. |
