2-((4-hydroxycyclohexyl)methyl)isoindoline-1,3-dione | 478841-18-8

分子结构分类

有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物

中文名称

——

中文别名

——

英文名称

2-((4-hydroxycyclohexyl)methyl)isoindoline-1,3-dione

英文别名

2-[(4-hydroxycyclohexyl)methyl]isoindole-1,3-dione

2-((4-hydroxycyclohexyl)methyl)isoindoline-1,3-dione化学式

CAS

478841-18-8

化学式

C₁₅H₁₇NO₃

mdl

——

分子量

259.305

InChiKey

PMXCGFWQZHLHGG-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

421.9±18.0 °C(Predicted)
密度：

1.298±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.3
重原子数：

19
可旋转键数：

2
环数：

3.0
sp3杂化的碳原子比例：

0.47
拓扑面积：

57.6
氢给体数：

1
氢受体数：

3

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	2-[(4-{[tert-butyl(dimethyl)silyl]oxy}cyclohexyl)methyl]-1H-isoindole-1,3(2H)-dione	478841-17-7	C₂₁H₃₁NO₃Si	373.568

反应信息

作为反应物：

描述：

2-((4-hydroxycyclohexyl)methyl)isoindoline-1,3-dione 在氰基亚甲基三正丁基膦、甲胺作用下，以乙醇、甲苯为溶剂，反应 4.0h，生成 1-{4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl}-methanamine

参考文献：

名称：

EP1403255

摘要：

公开号：
作为产物：

描述：

4-氰基环己酮缩乙二醇在 lithium aluminium tetrahydride 、甲酸、 sodium cyanoborohydride 、溶剂黄146 、三乙胺作用下，以四氢呋喃、水、甲苯为溶剂，反应 68.0h，生成 2-((4-hydroxycyclohexyl)methyl)isoindoline-1,3-dione

参考文献：

名称：

PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORgT

摘要：

本发明涵盖了Formula I的化合物。其中： R1、R3、R4、R5、R6、R7、R8和Q在规范中有定义。该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合征、疾病或疾病的方法，包括综合征、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的群组。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。

公开号：

US20190382349A1

点击查看最新优质反应信息

文献信息

PYRIDINYL PYRAZOLES AS MODULATORS OF RORyT

申请人：Janssen Pharmaceutica NV

公开号：US20190382350A1

公开（公告）日：2019-12-19

The present invention comprises compounds of Formula I. wherein: R 1 , R 3 , R 4 , R 5 , R 6 , and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

本发明涵盖了Formula I的化合物。其中： R1、R3、R4、R5、R6和Q在规范中有定义。该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合症、疾病或疾病的方法，包括综合症、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的群组。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。
PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORyT

申请人：Janssen Pharmaceutica NV

公开号：US20190382354A1

公开（公告）日：2019-12-19

The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R a , R b , Q 1 , and Q 2 are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

本发明涵盖了Formula I的化合物。其中： R1、R2、R3、R4、R5、Ra、Rb、Q1和Q2在规范中有定义。该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合征、疾病或疾病的方法，包括综合征、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的方法。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。
Phenyl substituted pyrazoles as modulators of RORγt

申请人：Janssen Pharmaceutica NV

公开号：US10975037B2

公开（公告）日：2021-04-13

The present invention comprises compounds of Formula I. wherein: R1, R3, R4, R5, R6, R7, R8, and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

本发明包括式 I 的化合物。其中 R1、R3、R4、R5、R6、R7、R8 和 Q 的定义见说明书。本发明还包括一种治疗或改善 ROR-γ-t 介导的综合征、紊乱或疾病的方法，其中综合征、紊乱或疾病选自由类风湿性关节炎、银屑病关节炎和银屑病组成的组。本发明还包括一种通过施用治疗有效量的至少一种式 I 化合物来调节哺乳动物体内 RORγt 活性的方法。
Pyridinyl pyrazoles as modulators of RORγT

申请人：Janssen Pharmaceutica NV

公开号：US11034658B2

公开（公告）日：2021-06-15

The present invention comprises compounds of Formula I. wherein: R1, R3, R4, R5, R6, and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

本发明包括式 I 的化合物。其中 R1、R3、R4、R5、R6 和 Q 的定义见说明书。本发明还包括一种治疗或改善 ROR-γ-t 介导的综合征、紊乱或疾病的方法，其中综合征、紊乱或疾病选自由类风湿性关节炎、银屑病关节炎和牛皮癣组成的组。本发明还包括一种通过施用治疗有效量的至少一种式 I 化合物来调节哺乳动物体内 RORγt 活性的方法。
Phenyl and pyridinyl substituted imidazoles as modulators of RORγT

申请人：Janssen Pharmaceutica NV

公开号：US11345666B2

公开（公告）日：2022-05-31

The present invention comprises compounds of Formula I. wherein: R1, R2, R3, R4, R5, Ra, Rb, Q1, and Q2 are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

本发明包括式 I 的化合物。其中 R1、R2、R3、R4、R5、Ra、Rb、Q1 和 Q2 在说明书中定义。本发明还包括一种治疗或改善 ROR-γ-t 介导的综合征、紊乱或疾病的方法，其中综合征、紊乱或疾病选自由类风湿性关节炎、银屑病关节炎和银屑病组成的组。本发明还包括一种通过施用治疗有效量的至少一种式 I 化合物来调节哺乳动物体内 RORγt 活性的方法。