ChemicalBook--->CAS DataBase List--->77327-45-8

77327-45-8

77327-45-8 Structure

77327-45-8 Structure
IdentificationBack Directory
[Name]

BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2
[CAS]

77327-45-8
[Synonyms]

Mpomeovt
me)(2)-orn(8)-
[PMP1,TYR(OME)2,ORN8] VASOTOCIN
(D(CH2)(5/1),TYR(ME)2,ORN8)-OXYTOCIN
[D(CH2)51, TYR(ME)2, ORN8]-VASOTOCIN
(D(CH2)51,(METHYL)TYR2,ORN8)-OXYTOCIN
PMP-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2
(d(CH?)??,Tyr(Me)?,Orn?)-Oxytocin trifluoroacetate salt
[β-mercapto-β,β-cyclopentamethylenepropionyl1, o-me-tyr2, orn8]-oxytocin
oxytocin,1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionicacid)-tyr(o
b-Mercapto-b,b-cyclopentaMethylene-propionyl-Tyr(Me)-Ile-Gln-Asn-Cys-Pro-Orn-Gly-NH2
BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2
1-(β-Mercapto-β,β-cyclopentamethylenepropionic acid)-2-O-methyltyrosine-8-ornithine]vasotocin
oxytocin,1-(beta-mercapto-(beta, beta-cyclopentamethylene)propionic acid)-Tyr(OMe)(2)-Orn(8)-
beta-Mercapto-beta,beta-cyclopentamethylenepropionyl1, O-Me-Tyr2, Orn8]-Oxytocin >=93% (HPLC), solid
beta-Mercapto-beta,beta-cyclopentamethylene-propionyl-Tyr(Me)-Ile-Gln-Asn-Cys-Pro-Orn-Gly-NH2, (Disulfide bond)
Glycinamide, N-[(1-mercaptocyclohexyl)acetyl]-O-methyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-ornithyl-, cyclic (1→5)-disulfide (9CI)
[Molecular Formula]

C48H74N12O12S2
[MDL Number]

MFCD00135712
[MOL File]

77327-45-8.mol
[Molecular Weight]

1075.3
Chemical PropertiesBack Directory
[Boiling point ]

1537.6±65.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[storage temp. ]

−20°C
[form ]

solid
[pka]

12.85±0.70(Predicted)
[Sequence]

{β-Mercapto-β,β-cyclopentamethylene-propionyl-Tyr(Me)}-Ile-Gln-Asn-Cys-Pro-{Orn}-Gly-NH2 (disulfide bridge: mercaptopropanoic acid-1-cysteine-6)
[InChIKey]

ZWVZXPFUQHTUKV-SZQHDTAUSA-N
[SMILES]

CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC3(CCCCC3)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

[β-Mercapto-β,β-cyclopentamethylenepropionyl1, O-Me-Tyr2, Orn8]-Oxytocin has been used as an oxytocin receptor antagonist:
  • to study the influence of blockading the oxytocin receptors in the anterior cingulate cortex on helping behavior
  • to determine the receptors that mediate vasopressin-stimulated anion secretion across cultured porcine vas deferens epithelial cell monolayers
  • to study the influence of oxytocin receptors inhibition on intravenous and in situ oxytocin effects on the urinary bladder and cardiovascular activities in sham rats

[Biochem/physiol Actions]

[β-Mercapto-β,β-cyclopentamethylenepropionyl1, O-Me-Tyr2, Orn8]-also acts as an arginine vasopressin receptor 1A (AVPR1A) antagonist.
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