1-甲氧基-6-甲基-1,3-环己二烯 - CAS号 2161-91-3

物化性质

沸点：

186.3±19.0 °C(Predicted)
密度：

0.91±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.2
重原子数：

9
可旋转键数：

1
环数：

1.0
sp3杂化的碳原子比例：

0.5
拓扑面积：

9.2
氢给体数：

0
氢受体数：

1

反应信息

作为产物：

描述：

1-甲氧基-2-甲基环己-1,4-二烯在氢化钾、 ferric nitrate 作用下，生成 2-甲基苯甲醚、 1-甲氧基-6-甲基-1,3-环己二烯

参考文献：

名称：

Yates, Peter; Langford, Gordon E., Canadian Journal of Chemistry, 1981, vol. 59, p. 344 - 355

摘要：

DOI：

点击查看最新优质反应信息

文献信息

MODULATORS OF C3A RECEPTORS

申请人：THE UNIVERSITY OF QUEENSLAND

公开号：US20140302069A1

公开（公告）日：2014-10-09

Heterocyclic compounds that modulate C3a receptors and their use in the treatment or prevention of inflammatory diseases, infectious diseases, cancers, metabolic disorders, obesity, type 2 diabetes, metabolic syndrome and associated cardiovascular diseases are described. The use of the compounds in stimulating or suppressing an immune response is also described together with pharmaceutical compositions comprising the compounds or their pharmaceutically acceptable salts.

本文描述了调节C3a受体的杂环化合物及其在治疗或预防炎症性疾病、传染性疾病、癌症、代谢性疾病、肥胖症、2型糖尿病、代谢综合征及相关心血管疾病中的应用。本文还描述了利用这些化合物刺激或抑制免疫反应的应用，以及包括这些化合物或其药学上可接受的盐的制药组合物。
Heteroaryl sulfonamides and CCR2

申请人：ChemoCentryx, Inc.

公开号：EP2354126A1

公开（公告）日：2011-08-10

A compound of the formula (I), or a salt thereof: where Ar is selected from the group consisting of substituted or unsubstituted C6-10 aryl and substituted or unsubstituted 5- to 10-membered heteroaryl; R1 is selected from the group consisting of hydrogen, unsubstituted C1 alkyl, substituted or unsubstituted C3-8 alkyl, substituted or unsubstituted C2-6alkenyl, substituted or unsubstituted C2-6 alkynyl, and substituted or unsubstituted 3- to 10-membered heterocyclyl; Y1 is selected from the group consisting of -CR2a-, -N-, and -N+(O)--; Y2 is selected from the group consisting of -CR2b-, -N-, and -N+(O)--; Y3 is selected from the group consisting of -CR2c-, -N-, and -N+(O)--; R2a, R2b, and R2c are each independently selected from the group consisting of hydrogen, halogen, -CN, -C(O)R3, -CO2R, -C(O)NR3R4, -OR3, -OC(O)R3, -OC(O)NR3R4, -SR3, -S(O)R3, -S(O)2R3, -S(O)2NR3R4, -NO2, -NR3R4, -NR3C(O)R4, -NR3C(O)OR4, - NR3S(O)2R4, -NR3C(O)NR4R5, substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted C2-8 alkenyl, substituted or unsubstituted C2-8 alkynyl, substituted or unsubstituted 3- to 10-membered heterocyclyl, substituted or unsubstituted C6-10 aryl, and substituted or unsubstituted 5- to 10-membered heteroaryl; R3, R4, and R5 are each independently selected from the group consisting of hydrogen, substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted C2-8 alkenyl, substituted or unsubstituted C2-8 alkynyl, substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl, and substituted or unsubstituted 3- to 10-membered heterocyclyl; R3 and R4, R4 and R5 or R3 and R5 may, together with the atoms to which they are attached, form a substituted or unsubstituted 5-, 6-, or 7-membered ring; Y4 is selected from the group consisting of -N- and -N+(O)--; L is selected from the group consisting of a bond, -O-, -S-, -S(O)-, S(O)2-, -CR6R7-, - NR8-, -C(O)- and -NR8C(O)-; R6 and R7 are each independently selected from the group consisting of hydrogen, halogen, substituted or unsubstituted C1-8alkyl, substituted or unsubstituted 3- to 10-membered heterocyclyl, substituted or unsubstituted C2-6 alkenyl, substituted or unsubstituted C2-6alkynyl, -CN, -OR9, -NR10R11, -S(O)R9, and -S(O)2R9; R6 and R7 may, together with the carbon atom to which they are attached, form substituted or unsubstituted C3-8 cycloalkyl or substituted or unsubstituted 3- to 10-membered heterocyclic ring; R9 is selected from the group consisting of hydrogen, substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted C2-8 alkenyl, substituted or unsubstituted C2-8 alkynyl, substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl, and substituted or unsubstituted 3- to 10-membered heterocyclyl; R10 and R11 are each independently selected from the group consisting of substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted 3- to 10-membered heterocyclyl, substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl, substituted or unsubstituted C2-8 alkenyl, and substituted or unsubstituted C2-8alkynyl; R10 and R11 of -NR10R11 may, together with the nitrogen, form a substituted or unsubstituted C3-8 cycloalkyl or substituted or unsubstituted 3- to 10-membered heterocyclyl; R8 is selected from the group consisting of hydrogen, C(O)R12, S(O)2R12, CO2R12, substituted or unsubstituted C1-8alkyl, substituted or unsubstituted 3- to 10-membered heterocyclyl, substituted or unsubstituted C2-6 alkenyl, and substituted or unsubstituted C2-6 alkynyl; R12 is selected from the group consisting of substituted or unsubstituted C1-8alkyl, substituted or unsubstituted C2-6 alkenyl, substituted or unsubstituted C2-6 alkynyl, substituted or unsubstituted 3- to 1 0-membered heterocyclyl, substituted or unsubstituted C6-10 aryl, and substituted or unsubstituted 5- to 10-membered heteroaryl; Z1 is selected from the group consisting of substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl, substituted or unsubstituted 3- to 10-membered heterocyclyl, and -NR13R14; R13 and R14 are each independently selected from the group consisting of hydrogen, substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted C2-8 alkenyl, substituted or unsubstituted C2-8 alkynyl, substituted or unsubstituted 3- to 10-membered heterocyclyl, substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl, substituted or unsubstituted (61-4 alkyl)-(C6-10 aryl), and substituted or unsubstituted (C1-4 alkyl)-(5- to 10-membered heteroaryl); R13 and R14 may, together with the nitrogen, form a substituted or unsubstituted 4-, 5-, 6-, or 7-membered heterocyclyl with the proviso that compounds of formula CC are excluded: where X14 is selected from the group consisting of -Cl, -NO2, -OCH3, -CH3, -NHC(O)CH3, and -CH2CH2-(phenyl); R65 is selected from the group consisting of hydrogen, substituted or unsubstituted C1-4 alkyl, and substituted or unsubstituted -SO2(phenyl); and R60 is selected from the group consisting of -NR61CH2CH2OR62, - NR61CH2CH2NR63R64, -NR61CH2CH2SR62, where R61 is selected from the group consisting of hydrogen and substituted or unsubstituted phenyl; R62 is selected from the group consisting of substituted or unsubstituted phenyl, and substituted or unsubstituted C1-4alkyl; and R63 and R64 are each independently selected from the group consisting of hydrogen, substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted phenyl, substituted or unsubstituted -SO2(phenyl), -C(O)CH3, -C(O)C(O)OH, and -C(O)2C(CH3)3.

本发明涉及式(I)的化合物或其盐：其中： - Ar选自取代或未取代的C6-10芳基和取代或未取代的5-10元杂芳基； - R1选自氢、未取代的C1烷基、取代或未取代的C3-8烷基、取代或未取代的C2-6烯基、取代或未取代的C2-6炔基，以及取代或未取代的3-10元杂环基； - Y1、Y2和Y3各自独立地选自-CR2a-、-N-和-N+ (O)--； - R2a、R2b和R2c各自独立地选自氢、卤素、-CN、-C(O)R3、-CO2R、-C(O)NR3R4、-OR3、-OC(O)R3、-OC(O)NR3R4、-SR3、-S(O)R3、-S(O)2R3、-S(O)2NR3R4、-NO2、-NR3R4、-NR3C(O)R4、-NR3C(O)OR4、-NR3S(O)2R4、-NR3C(O)NR4R5，取代或未取代的C1-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、取代或未取代的3-10元杂环基、取代或未取代的C6-10芳基，以及取代或未取代的5-10元杂芳基； - R3、R4和R5各自独立地选自氢、取代或未取代的C1-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、取代或未取代的C6-10芳基、取代或未取代的5-10元杂芳基，以及取代或未取代的3-10元杂环基； - R3和R4、R4和R5或R3和R5可能与所连接的原子一起形成取代或未取代的5-、6-或7元环； - Y4选自-N-和-N+ (O)--； - L选自键、-O-、-S-、-S(O)-、-S(O)2 -、-CR6R7 -= -NR8-、-C(O)-和-NR8C(O)-； - R6和R7各自独立地选自氢、卤素、取代或未取代的C1-8烷基、取代或未取代的3-10元杂环基、取代或未取代的C2-6烯基、取代或未取代的C2-6炔基、-CN、-OR9、-NR10R11、-S(O)R9和-S(O)2R9； - R6和R7可能与所连接的碳原子一起形成取代或未取代的C3-8环烷基或取代或未取代的3-10元杂环基； - R9选自氢、取代或未取代的C1-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、取代或未取代的C6-10芳基、取代或未取代的5-10元杂芳基，以及取代或未取代的3-10元杂环基； - R10和R11各自独立地选自取代或未取代的C1-8烷基、取代或未取代的3-10元杂环基、取代或未取代的C6-10芳基、取代或未取代的5-10元杂芳基、取代或未取代的C2-8烯基，以及取代或未取代的C2-8炔基； - -NR10R11中的R10和R11可能与氮一起形成取代或未取代的C3-8环烷基或取代或未取代的3-10元杂环基； - R8选自氢、C(O)R12、S(O)2R12、CO2R12、取代或未取代的C1-8烷基、取代或未取代的3-10元杂环基、取代或未取代的C2-6烯基，以及取代或未取代的C2-6炔基； - R12选自取代或未取代的C1-8烷基、取代或未取代的C2-6烯基、取代或未取代的C2-6炔基、取代或未取代的3-10元杂环基、取代或未取代的C6-10芳基，以及取代或未取代的5-10元杂芳基； - Z1选自取代或未取代的C6-10芳基、取代或未取代的5-10元杂芳基、取代或未取代的3-10元杂环基，以及-NR13R14； - R13和R14各自独立地选自氢、取代或未取代的C1-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、取代或未取代的3-10元杂环基、取代或未取代的C6-10芳基、取代或未取代的5-10元杂芳基、取代或未取代的(C1-4烷基)-(C6-10芳基)，以及取代或未取代的(C1-4烷基)-(5-10元杂芳基)； - R13和R14可能与氮一起形成取代或未取代的4-、5-、6-或7元杂环基；其中化合物CC型被排除：其中： - X14选自-Cl、- 、-O 、-CH3、-NHC(O) 和-CH2CH2-(苯基)； - R65选自氢、取代或未取代的C1-4烷基，以及取代或未取代的-SO2-苯基； - R60选自-NR61CH2CH2OR62、-NR61CH2CH2NR63R64，以及-NR61CH2CH2SR62；其中： - R61选自氢和取代或未取代的苯基； - R62选自取代或未取代的苯基，以及取代或未取代的C1-4烷基； - R63和R64各自独立地选自氢、取代或未取代的C1-8烷基、取代或未取代的苯基、取代或未取代的-SO2-苯基、-C(O) 、-C(O)C(O)OH，以及-C(O)2C( )3。
SUSTAINED HIV PROTEASE INHIBITOR

申请人：Shionogi & Co., Ltd.

公开号：EP3192794A1

公开（公告）日：2017-07-19

The present invention provides useful compounds for HIV protease inhibitor. A compound represented by formula or its pharmaceutically acceptable salt Formula: wherein ring A is R4 is -Y-Z, hydrogen atom, halogen, hydroxy and the like, R5 is hydrogen atom, halogen, hydroxy and the like, R6 is each independently halogen, hydroxy, carboxy and the like, ring A may be substituted with said R6 at any substitutable position(s), a is an integer of 0 to 7, ring B is substituted or unsubstituted aromatic carbocyclyl, or substituted or unsubstituted aromatic heterocyclyl, ring C is substituted or unsubstituted aromatic carbocyclyl, substituted or unsubstituted non-aromatic carbocyclyl, substituted or unsubstituted aromatic heterocyclyl, or substituted or unsubstituted non-aromatic heterocyclyl, R1 is -Y-Z, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl and the like, R2 and R3 are each independently -Y-Z or hydrogen atom, provided that at least one of R1, R2, R3 and R4 is a group represented by formula: -Y-Z, Y is a bond, or a spacer of any combination selected from the group consisting of -O-, -S-, -NR7-, -C(=O)-, -SO-, -SO2-, -NR7-C(=O)-, -C(=O)-NR7-, -NR7-C(=O)-NR7-, -NR7-C(=O)-O-, -SO2-NR7-, -NR7-SO2-, substituted or unsubstituted alkylene, substituted or unsubstituted alkenylene, substituted or unsubstituted alkynylene, substituted or unsubstituted aromatic carbocyclediyl, substituted or unsubstituted non-aromatic carbocyclediyl, substituted or unsubstituted aromatic heterocyclediyl and substituted or unsubstituted non-aromatic heterocyclediyl, R7 are each independently hydrogen atom, hydroxy, carboxy and the like, and Z is substituted aromatic carbocyclyl, substituted non-aromatic carbocyclyl, substituted aromatic heterocyclyl or substituted non-aromatic heterocyclyl.

本发明提供了用于 HIV 蛋白酶抑制剂的有用化合物。由式或其药学上可接受的盐代表的化合物式：其中环 A 是 R4为-Y-Z、氢原子、卤素、羟基等、 R5 是氢原子、卤素、羟基等、 R6 各自独立地为卤素、羟基、羧基等、环 A 可在任何可取代的位置被所述 R6 取代、 a 是 0 至 7 的整数、环 B 是取代或未取代的芳香族碳环，或取代或未取代的芳香族杂环、环 C 是取代或未取代的芳香族碳环，取代或未取代的非芳香族碳环，取代或未取代的芳香族杂环，或取代或未取代的非芳香族杂环、 R1 是-Y-Z、取代或未取代的烷基、取代或未取代的烯基、取代或未取代的炔基等、 R2 和 R3 各自独立地为-Y-Z 或氢原子、条件是 R1、R2、R3 和 R4 中至少有一个是由式表示的基团：-Y-Z、 Y 是键，或选自以下组别的任意组合的间隔物：-O-、-S-、-NR7-、-C(=O)-、-SO-、-SO2-、-NR7-C(=O)-、-C(=O)-NR7-、-NR7-C(=O)-NR7-、-NR7-C(=O)-O-、-SO2-、-NR7-SO2-、取代或未取代的亚烷基、取代或未取代的烯基、取代或未取代的炔基、取代或未取代的芳香族碳环基、取代或未取代的非芳香族碳环基、取代或未取代的芳香族杂环基和取代或未取代的非芳香族杂环基、 R7 各自独立地为氢原子、羟基、羧基等，以及 Z 是取代的芳香族碳环基、取代的非芳香族碳环基、取代的芳香族杂环基或取代的非芳香族杂环基。
TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS

申请人：Infinity Pharmaceuticals, Inc.

公开号：EP3811974A1

公开（公告）日：2021-04-28

Provided herein is a PI3K inhibitor, alone or in combination with one or more other therapeutic agents, for use in treating or managing indolent non-Hodgkin's lymphoma (iNHL) in a subject that is, or is identified as, relapsed or refractory to a prior treatment with rituximab and the iNHL is refractory to chemotherapy or radioimmunotherapy (RIP), wherein the PI3K inhibitor is Compound 292 or a pharmaceutically acceptable salt, a hydrate or a solvate thereof. Furthermore the application relates to a PI3K inhibitor, alone or in combination with one or more other therapeutic agents, for use in treating or managing cancer or hematologic malignancy in a subject who developed resistance to a prior treatment, wherein the PI3K inhibitor is Compound 292, or a pharmaceutically acceptable salt, a hydrate or a solvate thereof, and wherein the prior treatment is a treatment with one or more BTK inhibitors, anti-CD20 antibodies, proteasome inhibitors, or alkylating agents.

本发明提供了一种PI3K抑制剂，单独或与一种或多种其它治疗剂联合，用于治疗或控制对先前利妥昔单抗治疗复发或难治，且iNHL对化疗或放射免疫治疗（RIP）难治的受试者中的懒惰性非霍奇金淋巴瘤（iNHL），其中PI3K抑制剂是化合物292或其药学上可接受的盐、水合物或溶液。此外，本申请还涉及一种PI3K抑制剂，单独或与一种或多种其它治疗剂联合使用，用于治疗或控制对先前治疗产生耐药性的受试者的癌症或血液恶性肿瘤，其中PI3K抑制剂是化合物292或其药学上可接受的盐、水合物或溶液，而先前的治疗是一种或多种BTK抑制剂、抗CD20抗体、蛋白酶体抑制剂或烷化剂的治疗。
YATES P.; LANGFORD G. E., CAN. J. CHEM., 1981, 59, NO 2, 344-355

作者：YATES P.、 LANGFORD G. E.

DOI：——

日期：——

1-甲氧基-6-甲基-1,3-环己二烯 | 2161-91-3

分子结构分类

物化性质

计算性质

反应信息

文献信息

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