CAS 1092942-83-0

Benzamide, 4-[(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d₈)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-, methanesulfonate (1:1)

Description:

Benzamide, 4-[(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-, methanesulfonate (1:1) is a complex organic compound characterized by its multi-functional structure, which includes a benzamide core, a piperazine moiety, and a pyrimidine derivative. This compound is typically used in pharmaceutical research and development due to its potential biological activity. The presence of deuterium in the piperazine ring suggests that it may be utilized in studies involving isotopic labeling, which can help in tracing metabolic pathways or understanding pharmacokinetics. The methanesulfonate salt form indicates that it is likely soluble in polar solvents, enhancing its bioavailability. Its intricate structure may contribute to specific interactions with biological targets, making it a candidate for further investigation in medicinal chemistry. As with many compounds of this nature, safety and handling precautions should be observed, given the potential for biological activity and the complexity of its synthesis.

Formula: C₃₀H₂₇D₈N₇O₄S

InChI: InChI=1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)/i14D2,15D2,16D2,17D2;

InChI key: InChIKey=YLMAHDNUQAMNNX-NZEOXOADSA-N

SMILES: N(C=1N=C(C=CN1)C=2C=CC=NC2)C3=CC(NC(=O)C4=CC=C(CN5C(C(N(C)C(C5([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])C=C4)=CC=C3C.S(C)(=O)(=O)O

Synonyms:

• Benzamide, 4-[(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-, methanesulfonate (1:1)
• [2H8]-Gleevec Mesylate
• YLMAHDNUQAMNNX-NZEOXOADSA-N

Gleevec-d8 Mesylate (Imatinib-d8 Mesylate)

Controlled Product

CAS: 1092942-83-0

Applications A deuterated tyrosine kinase inhibitor. Highly specific for BCR-ABL, the enzyme associated with chronic myelogenous leukemia (CML) and certain forms of acute lymphoblastic leukemia (ALL). It is a COVID19-related research product.
References Schindler, T., et al.: Science, 289, 1938 (2000), Drucker, B.J., et al.: N. Engl. J. Med., 344, 1031 (2001),

Formula: C₂₉₂H₈H₂₃N₇O·CH₄O₃S

Color and Shape: Neat

Molecular weight: 597.76

Ref: TR-G407002