CAS: 1142363-52-7; 5-Cyano-N-(2-(4,4-Dimethylcyclohex-1-En-1-yl)-6-(2,2,6,6-Tetramethyltetrahydro-2H-Pyran-4-yl)Pyridin-3-yl)-1H-Imidazole-2-Carboxamide

该化合物是一种选择性的动脉抑制剂,针对的是细胞信号路径中涉及的特定强力脉动酶,其主要行动机制是抑制关键的肉源动脉动脉,使其成为某些增生性失调治疗应用的候选物,该复合物具有高度选择性,尽量减少非目标效应,提高耐受性,临床研究显示有利的药用动脉特性,包括口服生物利用率和持续目标接触.爱迪科蒂尼卜的优化分子结构增强了结合性,有助于其低浓度的结合.目前正在进行进一步的研究,以评价其在临床环境中的效力和安全性,并有可能在肿瘤学和炎症条件下应用.

英文名称5-Cyano-N-(2-(4,4-Dimethylcyclohex-1-En-1-yl)-6-(2,2,6,6-Tetramethyltetrahydro-2H-Pyran-4-yl)Pyridin-3-yl)-1H-Imidazole-2-Carboxamide
中文名称JNJ-40346527游离态
IUPAC名称5-cyano-N-(2-(4,4-dimethylcyclohex-1-en-1-yl)-6-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)pyridin-3-yl)-1H-imidazole-2-carboxamide
CAS编号1142363-52-7
MFCD编号:MFCD30489233
FDA UNII编号:3NU609VYNF
分子式:C27H35N5O2分子量:461.61
产品CID: 175998
同类组份化合物CAS1559069-92-9 (HCl)1142363-52-7 (free base)
产品分类有机原料 → 有机酸及其衍生物 → 羧酸及其衍生物

相似结构搜索
InChIKey: BNVPFDRNGHMRJS-UHFFFAOYSA-N
InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33)
计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数4.0

物理性质

密度1.19±0.1 g/cm3(预测)
pKa:13.82±0.70(预测)
LogP:4.3
溶解性DMSO:23.34(Max Conc. mg/mL);50.56(Max Conc. Mm) DMSO:Pbs (Ph 7.2) (1:3):0.25(Max Conc. mg/mL);0.54(Max Conc. Mm) DMF:30.0(Max Conc. mg/mL);64.99(Max Conc. Mm) Ethanol:20.0(Max Conc. mg/mL);43.33(Max Conc. Mm)
外观形态白色至类白色结晶性固体
储存条件储存在 -20°C
产品应用该化合物用作研究阿尔茨海默氏病和风湿性关节炎.

上下游产品

4-Cyano-N-(2-(4,4-Dimethylcyclohex-1-En-1-yl)-6-(2,2,6,6-Tetramethyltetrahydro-2H-Pyran-4-yl)Pyridin-3-yl)-1-((2-(Trimethylsilyl)Ethoxy)Methyl)-1H-Imidazole-2-Carboxamide 1142363-66-3

合成工艺路线路线简述

合成目标产物 4-Cyano-N-(2-(4,4-Dimethylcyclohex-1-En-1-yl)-6-(2,2,6,6-Tetramethyltetrahydro-2H-Pyran-4-yl)Pyridin-3-yl)- 1H-Imidazole-2-Carboxamide 主要起始原料 4-Cyano-N-(2-(4,4-Dimethylcyclohex-1-En-1-yl)-6-(2,2,6,6-Tetramethyltetrahydro-2H-Pyran-4-yl)Pyridin-3-yl)-1-((2-(Trimethylsilyl)Ethoxy)Methyl)-1H-Imidazole-2-Carboxamide
(文献来源)合成步骤主要原料 4-Cyano-N-(2-(4,4-Dimethylcyclohex-1-En-1-yl)-6-(2,2,6,6-Tetramethyltetrahydro-2H-Pyran-4-yl)Pyridin-3-yl)-1-((2-(Trimethylsilyl)Ethoxy)Methyl)-1H-Imidazole-2-Carboxamide

📜4-Cyano-N-(2-(4,4-Dimethylcyclohex-1-En-1-yl)-6-(2,2,6,6-Tetramethyltetrahydro-2H-Pyran-4-yl)Pyridin-3-yl)-1-((2-(Trimethylsilyl)Ethoxy)Methyl)-1H-Imidazole-2-Carboxamide置于四丁基氟化铵体系中,用 N,N-二甲基甲酰胺用作溶剂,以75%的收率获得jnj-40346527游离态
参考文献:Inhibitors Of C-Fms Kinase
标题:Inhibitors Of C-Fms Kinase
摘要:该发明涉及以下式i的化合物: 其中z,X,J,R2和w如规范中所述,以及其溶剂化合物,水合物,互变异构体和药学上可接受的盐,能够抑制蛋白酪氨酸激酶,特别是c-Fms激酶.本发明还提供了治疗自身免疫疾病;以及伴有炎症成分的疾病;治疗卵巢癌,子宫癌,乳腺癌,前列腺癌,肺癌,结肠癌,胃癌,毛细胞白血病的转移;以及治疗疼痛,包括肿瘤转移或骨关节炎引起的骨骼疼痛,或内脏,炎症和神经源性疼痛;以及骨质疏松症,帕盖特病和其他骨吸收介导发病率的疾病,包括类风湿性关节炎和其他形式的炎症性关节炎,骨关节炎,假体失败,溶骨性肉瘤,骨髓瘤和肿瘤转移至骨骼的方法,其中使用了式i的化合物.

海关参考信息

2901210000-乙烯
2901220000-丙烯
2905122000-异丙醇
2905143000-叔丁醇
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专利信息

专利号:US-2022259202-A1
优先权日:2019-06-17
标题:1-(4-(aminomethyl)benzyl)-2-butyl-2h-pyrazolo[3,4-c]quinolin-4-amine derivatives and related compounds as toll-like receptor (tlr) 7/8 agonists, as well as antibody drug conjugates thereof for use in cancer therapy and diagnosis
发明人：MEIMETIS LABROS
权利人:SUTRO BIOPHARMA INC
摘要:1-(4-(aminomethyl)benzyl)-2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine derivatives thereof and related compounds of formula (I) as toll-like receptor (TLR) 7/8 agonists for cancer therapy. Linker payload compounds thereof, and antibody conjugates thereof for cancer diagnosis. The present description discloses the synthesis and characterisation of exemplary compounds as well as pharmacological data thereof (e.g. pages 145 to 156; examples 1 to 3; biological examples 1 to 6; tables 1 and 2).

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主要参考文献

1: Manthey CL, Moore BA, Chen Y, Loza MJ, Yao X, Liu H, Belkowski SM, Raymond- Parks H, Dunford PJ, Leon F, Towne JE, Plevy SE. The CSF-1-receptor inhibitor, JNJ-40346527 (PRV-6527), reduced inflammatory macrophage recruitment to the intestinal mucosa and suppressed murine T cell mediated colitis. PLoS One. 2019 Nov 11;14(11):e0223918. doi: 10.1371/journal.pone.0223918.
2: Mancuso R, Fryatt G, Cleal M, Obst J, Pipi E, Monzón-Sandoval J, Ribe E, Winchester L, Webber C, Nevado A, Jacobs T, Austin N, Theunis C, Grauwen K, Daniela Ruiz E, Mudher A, Vicente-Rodriguez M, Parker CA, Simmons C, Cash D, Richardson J; NIMA Consortium, Jones DNC, Lovestone S, Gómez-Nicola D, Perry VH. CSF1R inhibitor JNJ-40346527 attenuates microglial proliferation and neurodegeneration in P301S mice. Brain. 2019 Oct 1;142(10):3243-3264. doi: 10.1093/brain/awz241.
3: Kumari A, Silakari O, Singh RK. Recent advances in colony stimulating factor-1 receptor/c-FMS as an emerging target for various therapeutic implications. Biomed Pharmacother. 2018 Jul;103:662-679. doi: 10.1016/j.biopha.2018.04.046. Epub 2018 Apr 24. 32(5):654-668.e5. doi: 10.1016/j.ccell.2017.10.005.