[Glu4]-Oxytocin acetate

For research use only. Not for therapeutic Use.

  • CAT Number: I041394
  • Molecular Formula: C45H69N11O15S2
  • Molecular Weight: 1068.22
  • Purity: ≥95%
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[Glu4]-Oxytocin acetate(Cat No.:I041394)is a modified version of the naturally occurring peptide hormone oxytocin, where the fourth amino acid residue, glutamic acid (Glu), is altered to enhance its activity or receptor selectivity. Oxytocin plays a key role in regulating social bonding, uterine contractions during childbirth, and lactation. The modification in [Glu4]-Oxytocin acetate aims to optimize its pharmacological effects, potentially improving its therapeutic applications in areas like labor induction, social disorders, and anxiety management. The acetate salt form improves solubility and stability, making it suitable for pharmaceutical and research use.


Synonyms

acetic acid;3-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-4-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]propanoic acid

Molecular Formula C45H69N11O15S2
Purity ≥95%
IUPAC Name acetic acid;3-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-4-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]propanoic acid
InChI InChI=1S/C43H65N11O13S2.C2H4O2/c1-5-22(4)35-42(66)48-26(12-13-34(58)59)38(62)50-29(17-32(45)56)39(63)52-30(20-69-68-19-25(44)36(60)49-28(40(64)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-33(46)57;1-2(3)4/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59);1H3,(H,3,4)/t22-,25-,26-,27-,28-,29-,30-,31-,35-;/m0./s1
InChIKey CLGYCRRGUYKDRR-BXUJZNQYSA-N
SMILES CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)O.CC(=O)O
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