From Wikipedia, the free encyclopedia
Chemical compound
TC OT 39
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ATC code | |
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(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
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CAS Number | |
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ChemSpider | |
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Formula | C32H40N8O2S |
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Molar mass | 600.79 g·mol−1 |
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3D model (
JSmol) | |
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Cc1cc(ccc1CNC(=O)N2CCC[C@H]2C(=S)N3CCCN(CC3)C)C(=O)N4Cc5cnn(c5Nc6c4cccc6)C
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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/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1 Key:KSNHHKZYKYNBEI-NDEPHWFRSA-N
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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]
See also
References
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^ Pitt GR, Batt AR, Haigh RM, Penson AM, Robson PA, Rooker DP, Tartar AL, Trim JE, Yea CM, Roe MB (September 2004). "Non-peptide oxytocin agonists". Bioorganic & Medicinal Chemistry Letters. 14 (17): 4585–4589.
doi:
10.1016/j.bmcl.2004.04.107.
PMID
15357997.