CAS: 910462-43-0; (E)-N-(2-Aminophenyl)-3-(1-((4-(1-Methyl-1H-Pyrazol-4-yl)Phenyl)Sulfonyl)-1H-Pyrrol-3-yl)Acrylamide

英文名称(E)-N-(2-Aminophenyl)-3-(1-((4-(1-Methyl-1H-Pyrazol-4-yl)Phenyl)Sulfonyl)-1H-Pyrrol-3-yl)Acrylamide
中文名称(2E)-N-(2-氨基苯基)-3-[1-[[4-(1-甲基-1H-吡唑-4-基)苯基]磺酰基]-1H-吡咯-3-基]-2-丙烯酰胺
IUPAC名称(E)-N-(2-aminophenyl)-3-(1-((4-(1-methyl-1H-pyrazol-4-yl)phenyl)sulfonyl)-1H-pyrrol-3-yl)acrylamide
CAS编号910462-43-0
MFCD编号:MFCD28155264
EINECS号:859-210-3
FDA UNII编号:264ARM7UXX
分子式:C23H21N5O3S分子量:447.52
产品CID: 1945132
同类组份化合物CAS1186222-89-8 (tosylate)910462-43-0 (free base)
产品分类生物化工 → 抑制剂 → 表观遗传学(Epigenetics)

相似结构搜索
InChIKey: PRXXYMVLYKJITB-IZZDOVSWSA-N
InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+
计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数6.0

MSDS等安全信息

GHS象形图
GHS符号GHS09;
注释: Environment
危险类别致突变性类别2
水生急性毒性类别1
水生慢性毒性类别1
警示词Warning(警告)
危险描述H341 |怀疑导致遗传缺陷.
H400 |对水生生物毒性极大.
H410 |对水生生物毒性极大并具有长期持续影响.
防范说明P261-P305+P351+P338

欧盟法规

C&L通报

合成工艺路线路线简述

📜(E)-N-(2-Amino-Phenyl)-3-{1-[4-(1-Methyl-1H-Pyrazol-4-yl)-Benzenesulfonyl]-1H-Pyrrol-3-Yl}-Acrylamide Hydrochloride置于氨体系中,用水作为反应溶剂,化学反应 1.0H,反应生成 (2E)-N-(2-氨基苯基)-3-[1-[[4-(1-甲基-1H-吡唑-4-基)苯基]磺酰基]-1H-吡咯-3-基]-2-丙烯酰胺
参考文献:(E)-N-(2-Amino-Phenyl)-3-{1-[4-(1-Methyl-1H-Pyrazol-4-yl)-Benzenesulfonyl]-1H-Pyrrol-3-Yl}-Acrylamide Salts
标题:(E)-N-(2-Amino-Phenyl)-3-{1-[4-(1-Methyl-1H-Pyrazol-4-yl)-Benzenesulfonyl]-1H-Pyrrol-3-Yl}-Acrylamide Salts
摘要:(E)-N-(2-氨基苯基)-3-{1-[4-(1-甲基-1H-吡唑-4-基)-苯磺酰]-1H-吡咯-3-基}-丙烯酰胺的盐,所选自羟溴酸盐,甲磺酸盐,半乙烷-1,2-二磺酸盐,苯磺酸盐,甲苯磺酸盐和2-萘磺酸盐.

海关参考信息

2901210000-乙烯
2901220000-丙烯
2912110000-甲醛
2912120000-乙醛
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-2024066133-A1
优先权日:2020-03-06
标题 :Therapeutic agents and conjugates thereof
发明人：SONG YUNTAO; LI ANRONG; LI HUI; LI XIANFENG; YANG JUNBAO
权利人:BEIJING XUANYI PHARMASCIENCES CO LTD
摘要:The present disclosure provides a class of conjugates of general formula (X), a class of TLR9 agonist derivatives, such as formula (I), (XX), and (XXI), certain diastereomers of STING agonists, a class of STING agonist derivatives, such as formula (XXVIV), a class of heterocyclic compounds of general formula (II), a class of heterocyclic compounds of general formula (III), as defined herein. A 1 , A 2 , T, Z 1 , Z 2 , Z 3 , b 1 , and b 2 , in formula (X) are defined herein. The conjugate provides unique properties that are based upon the properties of the therapeutic agents that are part of the conjugate. Also provided are methods of synthesis and use of compounds.

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供应商参考报价(招募中)

品牌试剂参考报价(招募中)

实用工具

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主要参考文献

1: Bretz AC, Parnitzke U, Kronthaler K, Dreker T, Bartz R, Hermann F, Ammendola A, Wulff T, Hamm S. Domatinostat favors the immunotherapy response by modulating the tumor immune microenvironment (TIME). J Immunother Cancer. 2019 Nov 8;7(1):294. doi: 10.1186/s40425-019-0745-3.
2: Roca MS, Moccia T, Iannelli F, Testa C, Vitagliano C, Minopoli M, Camerlingo R, De Riso G, De Cecio R, Bruzzese F, Conte M, Altucci L, Di Gennaro E, Avallone A, Leone A, Budillon A. HDAC class I inhibitor domatinostat sensitizes pancreatic cancer to chemotherapy by targeting cancer stem cell compartment via FOXM1 modulation. J Exp Clin Cancer Res. 2022 Mar 3;41(1):83. doi: 10.1186/s13046-022-02295-4. Erratum in: J Exp Clin Cancer Res. 2022 Apr 11;41(1):138. doi: 10.1186/s13046-022-02324-2.
3: Srinivas N, Song L, Lei KC, Gravemeyer J, Furtmann F, Gambichler T, Becker JC, Sriram A. The HDAC inhibitor domatinostat induces type I interferon α in Merkel cell carcinoma by HES1 repression. J Cancer Res Clin Oncol. 2023 Sep;149(11):8267-8277. doi: 10.1007/s00432-023-04733-y. Epub 2023 Apr 18.