Chemical Compound

Dotatate

CAS Registry Number 177943-88-3
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Dotatate chemical structure
Primary Record

Dotatate

In stock
6,165 g
Purity
98.9 %
CAS
177943-88-3

Compound Identifiers & Properties

CAS
177943-88-3
PubChem CID
11170867
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=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O
Canonical SMILES
C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O

Names & Synonyms

  • Dotatate
  • DOTA-octreotate
  • Oxodotreotide
  • DOTA-TATE
  • DOTA-(Tyr3)-octreotate
  • RefChem:57251
  • UNII-MRL3739G66
  • DOTATATE, Acetate salt
  • MRL3739G66
  • CHEMBL441920
  • 177943-88-3
  • DTXSID60170399
  • orb1691499
  • orb2647490
  • DTXCID3092890
  • SCHEMBL25166937
  • Radiolabeled octreotide derivative
  • BDBM50165166
  • DB14554
  • CID11170867
  • BP-45227
  • BP-50495
  • CID 11170867
  • DA-72888
  • G14043
  • Q5205896
  • (2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
  • (2S,3R)-2-(((4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-((1R)-1-hydroxyethyl)-16-((4-hydroxyphenyl)methyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-(((2R)-3-phenyl-2-((2-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl)acetyl)amino)propanoyl)amino)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl)amino)-3-hydroxybutanoic acid
  • 177943-89-4
  • 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) ACETATE
  • L-Threonine, N-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2 inverted exclamation marku7)-disulfide
  • L-Threonine, N-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2-->7)-disulfide
  • N-{(4R,7S,10S,13R,16S,19R)-10-(4-Aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-[(N-{[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetyl}-D-phenylalanyl)amino]-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl}-L-threonine