Iupac Name: | (2S)-N-4-[(4,10-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenylmethyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide |
Width: | 250 |
Cas Number: | 479232-57-0 |
Atc Prefix: | none |
Chemspiderid: | 23249746 |
C: | 32 |
H: | 40 |
N: | 8 |
O: | 2 |
S: | 1 |
Smiles: | Cc1cc(ccc1CNC(=O)N2CCC[C@H]2C(=S)N3CCCN(CC3)C)C(=O)N4Cc5cnn(c5Nc6c4cccc6)C |
Stdinchi: | 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/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1 |
Stdinchikey: | KSNHHKZYKYNBEI-NDEPHWFRSA-N |
TC OT 39 is a non-peptide partial agonist of the oxytocin and vasopressin V2 receptors (Ki = 147 nM and >1000 nM, respectively) and antagonist of the vasopressin V1A receptor (Ki = 330 nM).[1]