CAS 2436579-93-8

6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-5,11-dimethyl-2-[[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino]-, 2,2,2-trifluoroacetate (1:1)

Description:

6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-5,11-dimethyl-2-[[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino]-, 2,2,2-trifluoroacetate (1:1) is a complex organic compound characterized by its unique structural features, which include a fused pyrimidobenzodiazepine core and a piperidine-substituted pyrazole moiety. This compound exhibits a trifluoroacetate salt form, indicating the presence of trifluoroacetic acid in its structure, which can influence its solubility and stability. The presence of multiple functional groups suggests potential biological activity, making it of interest in medicinal chemistry. Its molecular structure may confer specific pharmacological properties, potentially affecting its interaction with biological targets. The compound's CAS number, 2436579-93-8, allows for precise identification in chemical databases. Overall, this substance is likely to be studied for its therapeutic potential, particularly in areas related to neuropharmacology or as a lead compound in drug development. Further investigation into its properties, including solubility, stability, and biological activity, would be essential for understanding its applications.

Formula: C₂₃H₂₅F₃N₈O₃

InChI: InChI=1S/C21H24N8O.C2HF3O2/c1-27-17-6-4-3-5-16(17)20(30)28(2)18-12-23-21(26-19(18)27)25-14-11-24-29(13-14)15-7-9-22-10-8-15;3-2(4,5)1(6)7/h3-6,11-13,15,22H,7-10H2,1-2H3,(H,23,25,26);(H,6,7)

InChI key: LCEQZCVFZRUKMK-UHFFFAOYSA-N

SMILES: CN1C2=CC=CC=C2C(=O)N(C3=CN=C(N=C31)NC4=CN(N=C4)C5CCNCC5)C.C(=O)(C(F)(F)F)O

Synonyms:

• XMD 17 51 Trifluoroacetate,XMD1751 Trifluoroacetate
• XMD-17-51 Trifluoroacetate (1628614-50-5 free base)
• 6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-5,11-dimethyl-2-[[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino]-, 2,2,2-trifluoroacetate (1:1)

XMD-17-51 Trifluoroacetate

CAS: 2436579-93-8

XMD-17-51 Trifluoroacetate

Formula: C₂₃H₂₅F₃N₈O₃

Purity: 99.5%

Molecular weight: 518.49

Ref: 54-BUP03095

XMD-17-51 (TFA)

CAS: 2436579-93-8

Formula: C₂₃H₂₅F₃N₈O₃

Molecular weight: 518.4916

Ref: IN-DA01X5O1

XMD-17-51 Trifluoroacetate

CAS: 2436579-93-8

XMD-17-51 Trifluoroacetate is a pyrimido-diazepinone compound that regulates protein kinases.

Formula: C₂₃H₂₅F₃N₈O₃

Purity: 99.65%

Color and Shape: Solid

Molecular weight: 518.4916

Ref: TM-T9191