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化工数据库中心是化学化工领域科学研究与产业创新的重要基础设施。它通过系统化、标准化的方式,将分散的化合物信息、物化性质、化学反应、安全数据等资源整合为可检索、可计算、可复用的结构化数据资产,为科研人员、工程师和决策者提供高效的数据支撑。覆盖学科:有机化学、无机化学、高分子化学、分析化学与光谱学、物理化学、环境化学、天然产物与药物化学、应用化学及工业化学等.在传统科研模式下,研究人员需要耗费大量时间进行文献查找、数据整理和验证。系统化、结构化的数据库能够大幅提升这一效率:科研人员可以在同一平台上完成物质信息查询、结构检索、性质数据获取,形成高效的工作流。,化工数据库正从“数据仓储”向“智能引擎”演进。在AI与大数据深度融合的时代背景下,高质量、可溯源、标准化的化工数据库,将成为驱动新材料发现、新药研发、新工艺开发的关键力量。
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合成工艺路线中心

  • Aripiprazole CAS# 129722-12-9 阿立哌唑

    Aripiprazole, sold under the brand name Abilify among others, is an atypical antipsychotic. It is recommended and primarily used in the treatment of schizophrenia and bipolar disorder. Other uses incl...
    Shi, Hang; Babinski, David J.; Ritter, Tobias. Modular C-H Functionalization Cascade of Aryl Iodides. Journal of the American Chemical Society. Volume 137. Issue 11. Pages 3775-3778. 2015.

  • Darolutamide CAS# 1297538-32-9 达若鲁胺

    ODM-201, also known as Darolutamide, is a new-generation, potent and selective androgen receptor (AR) inhibitor which is potential useful for treatment of castration-resistant prostate cancer (CRPC). ...
    Reference: Pan, Tingting; Xia, Chunguang; Yang, Yulei; Zhang, Aiming. Process and intermediates for preparation of androgen receptor antagonist. Assignee Lianyungang Runzhong Pharmaceutical Co., Ltd., Peop. Rep. China; Shanghai Institute of Pharmaceutical Industry. CN 108218908. (2018).

  • Ozanimod CAS# 1306760-87-1 奥扎莫德

    Ozanimod (RPC‑1063) is a highly potent and selective S1P₁ and S1P₅ receptor agonist, with EC₅₀ values of ~1 nM for S1P₁ and ~8–11 nM for S1P₅ in human and animal receptor assays. It induces sustained ...
    Enantioselective Synthesis of Ozanimod, the Active Pharmaceutical Ingredient of a New Drug for Multiple SclerosisBy: Cianferotti, Claudio; et alEuropean Journal of Organic Chemistry (2021), 2021(12), 1924-1930

  • Upadacitinib CAS# 1310726-60-3 乌帕替尼

    Upadacitinib, also known as ABT-494, is a potent and selective JAK inhibitors in development for rheumatoid arthritis. ABT-494 is approximately 74 fold selective for Jak1 over Jak2 in cellular assays ...
    Reference: Pangan, Aileen L.; Teixeira, Henrique D.; Allian, Ayman D.; Borchardt, Thomas B.; Jayanth, Jayanthy; Marroum, Patrick J.; Nordstrom, Fredrik Lars; Sheikh, Ahmad Y.; Mohamed, Mohamed-Eslam F.; Othman, Ahmed A.; Mayer, Peter T. Processes for the preparation of (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]-pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide and solid state forms thereof for disease treatment. Assignee AbbVie Inc., USA. US 20180298016. (2018).

  • Xanomeline CAS# 131986-45-3 占诺美林

    Xanomeline is a muscarinic acetylcholine receptor agonist with functional selectivity for M1 and M4 receptors. Xanomeline exhibits high affinity for the M1 and M4 muscarinic receptors, leading to cogn...
    Novel Xanomeline-Containing Bitopic Ligands of Muscarinic Acetylcholine Receptors: Design, Synthesis and FRET InvestigationBy: Matera, Carlo; et alMolecules (2023), 28(5), 2407

  • Vamorolone CAS# 13209-41-1 (8S,10S,13S,14S,16R,17R)-17-羟基-17-(2-羟基乙酰基)-10,13,16-三甲基-6,7,8,10,12,13,14,15,16,17-十氢-3H-环戊并[a]菲-3-酮(地塞米松杂质)

    Vamorolone is a dissociative steroid designed to retain anti-inflammatory activity while minimizing the side effects associated with classical glucocorticoids. In vitro, it binds the glucocorticoid re...
    Intermediates in the preparation of (10S,13S,16R,17R)-17-hydroxy17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[A]phenanthren-3-oneBy: AnonymousIP.com Journal (2025), 25(3A), 1-7

  • Darifenacin Hydrobromide CAS# 133099-07-7 氢溴酸达非那新

    Darifenacin, also known as UK-88525, is a medication used to treat urinary incontinence. Darifenacin works by blocking the M3 muscarinic acetylcholine receptor, which is primarily responsible for blad...
    Gao, Juan; Zang, Hengchang. Synthesis method of darifenacin hydrobromide. Qilu Yaoshi. School of Pharmaceutical Sciences. Shandong University. Jinan, Shandong Province, Peop. Rep. China 255012. Volume 31. Issue 2. Pages 68-69, 77. 2012

  • Landiolol CAS# 133242-30-5 兰地洛尔

    Landiolol, also known as LDLL600 and ONO 1101, is an ultra-short-acting β1-blocker. Landiolol is a highly selective beta-1-adrenoreceptor antagonist (the selectivity for beta-1-receptor blockade is 25...
    Development of a highly cardioselective ultra short-acting β-blocker, ONO-1101By: Iguchi, Sadahiko; et alChemical & Pharmaceutical Bulletin (1992), 40(6), 1462-9

  • Iloperidone CAS# 133454-47-4 伊潘立酮

    Iloperidone is an atypical antipsychotic for the treatment of schizophrenia symptoms.
    Process for preparing iloperidone and its salts; Dwivedi, Shriprakash Dhar; Patel, Dhimant Jasubhai; Shah, Alpesh Pravinchandra; Assignee Cadila Healthcare Limited, India; 2013; Patent Information; Jun 28, 2013; IN 2010MU03103 A

  • Zavegepant CAS# 1337918-83-8 4-(1,2-二氢-2-氧-3-喹啉)-N-((1R)-1-((7-甲基-1H-吭唑-5-基)甲基)-2-(4-(1-甲基-4-哌啶啶)-1-哌嗪酰)-2-氧乙基)-1-哌啶羧酰胺

    Zavegepant, also known as Vazegepant, BHV-3500 and BMS 742413, is a highly potent, selective and structurally unique small molecule CGRP receptor antagonist. Vazegepant is the first and only CGRP rec...
    Discovery of (R)-N-(3-(7-methyl-1H-indazol-5-yl)-1-(4-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide (BMS-742413): A potent human CGRP antagonist with superior safety profile for the treatment of migraine through intranasal deliveryBy: Chaturvedula, Prasad V.; et alBioorganic & Medicinal Chemistry Letters (2013), 23(11), 3157-3161

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