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DOTA-[Tyr3]-Octreotide Acid

DOTA-​(Tyr3)​-​octreotate can be obtained through preparation of DOTA-containing peptides and radionucleotide complexes as antitumor agents for treating somatostatin postive tumor and metastasized tumors.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
DOTA-[Tyr3]-Octreotide Acid(CAS 177943-89-4)

CAT No: R1831

CAS No:177943-89-4

Synonyms/Alias:177943-89-4;DOTA-(Tyr3)-Octreotate acetate;L-Lysine-1,2,3,4,5,6-13C6-N2,N6-15N2, Hydrochloride; (S)-2,6-Diaminohexanoic acid-13C6,15N2 hydrochloride; 13C and 15N Labeled Lys; 13C and 15N Labeled Lysine Hydrochloride; SILAC Amino Acid;;MFCD09039058;EX-A9168;G13545;

Custom Peptide Synthesis
cGMP Peptide
  • Registration of APIs
  • CMC information required for an IND
  • IND and NDA support
  • Drug master files (DMF) filing
M.F/Formula
C67H94N14O21S2
M.W/Mr.
1495.7
Sequence
4,7,10-Tricarboxymethyl-1,4,7,10-tetraaza-cyclododecan-1-yl-acetyl-D-Phe-Cys-Tyr-D-Trp-Lys-Thr-Cys-Thr-OH (disulfide bond)
Purity
98% by HPLC
Source#
Synthetic
Shipping Condition
Room temperature
InChI
InChI=1S/C65H90N14O19S2.C2H4O2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;1-2(3)4/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);1H3,(H,3,4)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1
InChI Key
MGIRFLMPSDEBOD-UZOALHFESA-N
Canonical SMILES
CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(C(C)O)C(=O)O)O

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