TC OT 39

TC OT 39
Clinical data

ATC code	none
Identifiers
IUPAC name (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
CAS Number	479232-57-0
ChemSpider	23249746
Chemical and physical data
Formula	C₃₂H₄₀N₈O₂S
Molar mass	600.78 g/mol
3D model (Jmol)	Interactive image
SMILES Cc1cc(ccc1CNC(=O)N2CCC[C@H]2C(=S)N3CCCN(CC3)C)C(=O)N4Cc5cnn(c5Nc6c4cccc6)C
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/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1 Key:KSNHHKZYKYNBEI-NDEPHWFRSA-N

TC OT 39 is a non-peptide partial agonist of the oxytocin and vasopressin V₂ receptors (K_i = 147 nM and >1000 nM, respectively) and antagonist of the vasopressin V_1A receptor (K_i = 330 nM).^[1]

References

↑ 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.

V_1A	Agonists: Felypressin Lypressin Ornipressin Selepressin Terlipressin Vasopressin (argipressin) Vasotocin (argiprestocin) Antagonists: Atosiban Conivaptan FR-218944 JNJ-17079166 JNJ-17308616 LY-307174 PF-184563 Relcovaptan RG7314 SRX246 SRX251 TC OT 39 WAY-267464 YM-218 YM-471 YM-35471

V_1B	Agonists: Desmopressin Felypressin Lypressin Ornipressin Terlipressin Vasopressin (argipressin) Vasotocin (argiprestocin) Antagonists: ABT-436 Nelivaptan ORG-52186

V₂	Agonists: Desmopressin Felypressin Lypressin Ornipressin TC OT 39 Terlipressin Vasopressin (argipressin) Vasotocin (argiprestocin) Antagonists: Conivaptan JNJ-17079166 Lixivaptan Mozavaptan RWJ-351647 Satavaptan Tolvaptan YM-471 YM-35471

Unsorted	Antagonists: Ribuvaptan RWJ-339489 VMAX-367 VMAX-372 VMAX-382 YM-222546 Other inhibitors: Demeclocycline Lithium (lithium carbonate)

Others

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