Description

4-[4-amino-1-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-ethylpyridin-2-yl)benzamide; 4-[4-amino-1-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-N-(4-methylpyridin-2-yl)benzamide; 4-[4-amino-1-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide is a high-purity, multi-component organic compound designed for advanced research applications. With a complex molecular structure (C₉₀H₁₀₁N₂₇O₇S), this compound is meticulously synthesized to ensure consistency and reliability in experimental settings. Its unique pyrrolidin-3-yl and pyrazolo[3,4-d]pyrimidin-3-yl moieties make it a valuable candidate for pharmaceutical and biochemical studies, particularly in kinase inhibition and targeted drug discovery. Available in various quantities, this product is ideal for researchers requiring precision and reproducibility in their work.

Properties

• CAS Number: 1927969-26-3
• Complexity: 2920
• IUPAC Name: 4-[4-amino-1-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-ethyl-2-pyridyl)benzamide;4-[4-amino-1-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-N-(4-methyl-2-pyridyl)benzamide;4-[4-amino-1-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(5-methylthiazol-2-yl)benzamide
• InChI: InChI=1S/C31H35N9O3.C31H35N9O2.C28H31N9O2S/c1-19-10-12-33-25(15-19)36-31(42)23-9-6-20(16-24(23)43-3)28-27-29(32)34-18-35-30(27)40(37-28)22-11-14-39(17-22)26(41)5-4-13-38(2)21-7-8-21;1-3-20-12-14-33-25(17-20)36-31(42)22-8-6-21(7-9-22)28-27-29(32)34-19-35-30(27)40(37-28)24-13-16-39(18-24)26(41)5-4-15-38(2)23-10-11-23;1-17-14-30-28(40-17)33-27(39)19-7-5-18(6-8-19)24-23-25(29)31-16-32-26(23)37(34-24)21-11-13-36(15-21)22(38)4-3-12-35(2)20-9-10-20/h4-6,9-10,12,15-16,18,21-22H,7-8,11,13-14,17H2,1-3H3,(H2,32,34,35)(H,33,36,42);4-9,12,14,17,19,23-24H,3,10-11,13,15-16,18H2,1-2H3,(H2,32,34,35)(H,33,36,42);3-8,14,16,20-21H,9-13,15H2,1-2H3,(H2,29,31,32)(H,30,33,39)
• InChI Key: ZJEDKXXULJUKFQ-UHFFFAOYSA-N
• Exact Mass: 1703.80979984
• Molecular Formula: C90H101N27O7S
• Molecular Weight: 1705.0
• SMILES: CCC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)C3=NN(C4=NC=NC(=C34)N)C5CCN(C5)C(=O)C=CCN(C)C6CC6.CC1=CC(=NC=C1)NC(=O)C2=C(C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)C5CCN(C5)C(=O)C=CCN(C)C6CC6)OC.CC1=CN=C(S1)NC(=O)C2=CC=C(C=C2)C3=NN(C4=NC=NC(=C34)N)C5CCN(C5)C(=O)C=CCN(C)C6CC6
• Topological: 443
• Monoisotopic Mass: 1703.80979984
• Synonyms: 339177-26-3, 66455-26-3, 12539-26-3, 1927969-26-3

Application

This compound is primarily used in pharmaceutical research, particularly in the study of kinase inhibitors and targeted cancer therapies. Its multi-component structure allows for versatile applications in biochemical assays and drug discovery programs. Researchers may employ it in high-throughput screening or as a reference standard in analytical studies. The compound’s unique benzamide and pyrimidine derivatives also make it suitable for investigating enzyme inhibition mechanisms.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (50%)
• STOT SE 3 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.