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Introduction Figure 1. Chemical structure of ADB-5Br-INACA (C₁₄H₁₇BrN₄O₂, MW 353.21) ADB-5Br-INACA (N-[(2S)-1-Amino-3,3-dimethyl-1-oxobutan-2-yl]-5-bromo-1H-indazole-3-carboxamide, C₁₄H₁₇BrN₄O₂, MW 353.21) is a synthetic cannabinoid receptor ligand belonging to the indazole-3-carboxamide structural class. This compound features a 5-bromo substitution on the indazole core and an ADB (1-amino-3,3-dimethyl-1-oxobutan-2-yl) tail moiety, distinguishing it from the analogous MDMB-5Br-INACA which carries a methyl ester terminal … Read more

Overview Ethyl 3-oxo-4-phenylbutanoate (CAS 718-08-1) is a β-keto ester building block widely employed as a key intermediate in the synthesis of pharmaceutical agents targeting oncology, virology, and metabolic disorders. This molecule features a β-keto ester functionality adjacent to a phenyl ring, enabling diverse downstream transformations including alkylation, condensation, and cyclization reactions. Patent Landscape Patent literature … Read more

1. 1H-Indazole-3-carboxylic Acid (CAS 4498-67-3) This core scaffold has been extensively adopted by major pharmaceutical companies including Novartis, Takeda, Roche, AbbVie, and Theravance for drug discovery programs. Key patent applications include: Kinase Inhibition (AbbVie, US9163007B2) AbbVie’s patent describes indazole-3-carboxylic acid derivatives as potent kinase inhibitors targeting multiple signaling pathways relevant to oncology. 5-HT4 Receptor Agonism … Read more

Every now and then, a relatively simple molecule turns out to punch well above its weight in drug discovery. CAS 7499-19-6 — 2-methyl-3-phenylpropanamide — is exactly that kind of compound. Despite its modest structure (C₁₀H₁₃NO, MW 163.22), this primary amide shows up across a surprising range of therapeutic areas, from antivirals to CNS disorders and … Read more

本文详细描述了一条由简单商品化原料出发，经6步反应制备 7-氟-4-氧-1,4-二氢喹啉-3-羧酸衍生物（含硫最终产物）的实验室合成工艺。该路线涵盖缩合、热环化、N-烷基化、酯水解、酰胺偶联及硫醇取代等关键有机合成操作。 步骤 1：缩合反应 目的/产物：制备 2-(3-氟苯胺基亚甲基)马龙酸二乙酯（粗品） 称量：2-乙氧基马来酰二乙酯 195 g；3-氟苯胺 100 g 试剂与溶剂：石油醚（洗涤）1000 mL 设备与条件：2 L 三口圆底烧瓶、磁力/机械搅拌、回流冷凝器、油浴；回流温度约 100 ℃；反应时间 4 h；氮气保护可选 操作步骤：在干燥的 2 L 三口烧瓶中加入 2-乙氧基马来酰二乙酯 (195 g) 与 3-氟苯胺 (100 g)，安装回流冷凝器与油浴。加热至 100 ℃，保持回流搅拌 4 小时；TLC 或 HPLC 监控反应进度。反应结束后冷却至室温，缓慢加入石油醚（1000 mL）并搅拌 10–15 min。分液，水洗（3 × 200 mL），无水 Na2SO4 干燥 30 min，过滤，减压浓缩得粗产物。 安全注意：试剂有刺激性或挥发性，需在通风柜中操作，佩戴手套、护目镜、防护服；石油醚高度易燃。 产率与外观：约 265 g 白色固体（以实际操作为准） TLC/柱层析：TLC 溶剂 … Read more

MDMB-5Br-INACA: Analytical Characterization and Regulatory Status of a Brominated Indazole-3-Carboxamide Synthetic Cannabinoid Published by the Center for Forensic Science Research & Education (CFSRE), May 2022 🔬 Key Takeaway: MDMB-5Br-INACA is a brominated synthetic cannabinoid receptor agonist (SCRA) of the indazole-3-carboxamide class. It is currently NOT a controlled substance under the U.S. Controlled Substances Act (CSA), … Read more

Regioselective alkylation of a versatile indazole: Electrophile scope and mechanistic insights from density functional theory calculations Published in Beilstein Journal of Organic Chemistry, 2024, 20, 1940–1954 | DOI: 10.3762/bjoc.20.170 🔬 Key Takeaway: This study establishes highly regioselective N1– and N2-alkylations of methyl 5-bromo-1H-indazole-3-carboxylate (compound 6) using two complementary conditions. Over 30 alkylated products were isolated … Read more

Fully Validated, Multi-Kilogram cGMP Synthesis of MDMA Published in ACS Omega, 2021, 7(1), 900-907 | DOI: 10.1021/acsomega.1c05520 🔬 Key Takeaway: This is the first fully validated cGMP synthesis of MDMA, using 5-bromo-1,3-benzodioxole (CAS 2635-13-4) — a non-controlled starting material. The process delivers pharmaceutical-grade MDMA·HCl at 5 kg scale (≈30,000 doses) with >99.95% purity. 📄 Abstract … Read more