DOTA-LM3 TFA

For research use only. Not for therapeutic Use.

  • CAT Number: I041204
  • Molecular Formula: C71H94ClF3N16O21S2
  • Molecular Weight: 1664.18
  • Purity: ≥95%
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DOTA-LM3 TFA(Cat No.:I041204)is a synthetic peptide conjugate designed for use in molecular imaging and targeted drug delivery research. It combines the chelating agent DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) with the LM3 peptide, a sequence known for its specific binding properties. The DOTA moiety allows for the attachment of radioisotopes, enabling its use in positron emission tomography (PET) or other imaging techniques. Supplied as the trifluoroacetate (TFA) salt, DOTA-LM3 TFA enhances solubility and stability, making it ideal for studies in cancer imaging, diagnosis, and targeted therapy.


Synonyms

2-[4-[2-[[(2S)-1-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-13-[[4-(carbamoylamino)phenyl]methyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2,2,2-trifluoroacetic acid

Molecular Formula C71H94ClF3N16O21S2
Purity ≥95%
IUPAC Name 2-[4-[2-[[(2S)-1-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-13-[[4-(carbamoylamino)phenyl]methyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2,2,2-trifluoroacetic acid
InChI InChI=1S/C69H93ClN16O19S2.C2HF3O2/c1-40(87)60-68(104)81-55(66(102)77-50(61(72)97)30-43-9-17-47(88)18-10-43)39-107-106-38-54(67(103)79-53(33-44-11-19-48(89)20-12-44)65(101)78-52(32-42-7-15-46(16-8-42)74-69(73)105)64(100)76-49(62(98)82-60)4-2-3-21-71)80-63(99)51(31-41-5-13-45(70)14-6-41)75-56(90)34-83-22-24-84(35-57(91)92)26-28-86(37-59(95)96)29-27-85(25-23-83)36-58(93)94;3-2(4,5)1(6)7/h5-20,40,49-55,60,87-89H,2-4,21-39,71H2,1H3,(H2,72,97)(H,75,90)(H,76,100)(H,77,102)(H,78,101)(H,79,103)(H,80,99)(H,81,104)(H,82,98)(H,91,92)(H,93,94)(H,95,96)(H3,73,74,105);(H,6,7)/t40-,49+,50-,51+,52-,53+,54-,55+,60+;/m1./s1
InChIKey SHGQCVICCLKURF-YJTIAIKDSA-N
SMILES C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CC=C(C=C2)NC(=O)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=C(C=C4)Cl)NC(=O)CN5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CC6=CC=C(C=C6)O)C(=O)N)O.C(=O)(C(F)(F)F)O
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