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TC OT 39

TC OT 39

  • CAT Number: I010993
  • CAS Number: 479232-57-0
  • Molecular Formula: C32H40N8O2S
  • Molecular Weight: 600.786
  • Purity: ≥95%
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Potent non-peptide oxytocin receptor partial agonist (EC<sub>50</sub> values are 33 nM and 850 nM for the oxytocin receptor and V<sub>2</sub> vasopressin receptor respectively). Also a V<sub>1a</sub> vasopressin receptor antagonist (K<sub>i</sub> = 330 nM). Active <em>in vivo</em> in a rat model of uterine response.

Catalog Number I010993
CAS Number 479232-57-0
Synonyms

(2S)-N-[[4-[(4,10-Dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide

Molecular Formula

C32H40N8O2S

Purity 95%
Target Oxytocin Receptors
Solubility Soluble to 100 mM in 1eq. HCl and to 100 mM in DMSO
Storage Store at -20C
IUPAC Name (2S)-2-(4-methyl-1,4-diazepane-1-carbothioyl)-N-[[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide
InChI InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,34H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
InChIKey FVJXDXYJKFLROM-NDEPHWFRSA-N
SMILES CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CNC(=O)N5CCCC5C(=S)N6CCCN(CC6)C

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