CAS 479232-57-0

(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

Description:

The chemical substance with the 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" and CAS number "479232-57-0" is a complex organic compound characterized by its multi-cyclic structure, which includes elements of benzodiazepine and diazepine frameworks. This compound features a pyrrolidine ring and incorporates thioxomethyl and carbonyl functional groups, contributing to its potential biological activity. The stereochemistry indicated by the (2S) designation suggests specific spatial arrangements of atoms that may influence its pharmacological properties. Such compounds are often investigated for their therapeutic potential, particularly in the fields of psychiatry and neurology, due to their ability to interact with neurotransmitter systems. The presence of multiple heteroatoms, such as nitrogen and sulfur, enhances the compound's reactivity and solubility, which are critical factors in drug design and development. Overall, this substance exemplifies the complexity and diversity of modern medicinal chemistry.

Formula: C₃₂H₄₀N₈O₂S

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

InChI key: InChIKey=KSNHHKZYKYNBEI-NDEPHWFRSA-N

SMILES: C(=O)(N1C=2C(NC3=C(C1)C=NN3C)=CC=CC2)C4=CC(C)=C(CNC(=O)N5[C@H](C(=S)N6CCN(C)CCC6)CCC5)C=C4

Synonyms:

• TC OT 39
• 1-Pyrrolidinecarboxamide, 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]-, (2S)-
• (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

Tc ot 39

CAS: 479232-57-0

Tc ot 39 is a molecule that can be used as a transcriptional regulator. The drug has been shown to be effective in clinical studies for the treatment of cancer and chronic viral diseases, such as hepatitis C. Tc ot 39 binds to the microglia receptor (OX2R) and inhibits the production of pro-inflammatory cytokines. It also inhibits the production of inflammatory cytokines such as tumor necrosis factor-α (TNF-α), interleukin 1β (IL-1β), and IL-6 by inhibiting phosphorylation of Janus kinase 2 (JAK2). Tc ot 39 also has an effect on depression, which may be due to its ability to inhibit oxidative stress in brain cells.

Formula: C₃₂H₄₀N₈O₂S

Purity: Min. 95%

Molecular weight: 600.8 g/mol

Ref: 3D-EUA23257

TC OT 39

CAS: 479232-57-0

oxytocin receptor partial agonist

Formula: C₃₂H₄₀N₈O₂S

Purity: 98%

Color and Shape: Solid

Molecular weight: 600.78

Ref: TM-T23441