2-Methylsulfonyl-5-(morpholin-4-yl)aniline | 942474-86-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-Methylsulfonyl-5-(morpholin-4-yl)aniline
• 英文别名: 2-methylsulfonyl-5-morpholin-4-ylaniline
• CAS: 942474-86-4
• 化学式: C₁₁H₁₆N₂O₃S
• 分子量: 256.32
• InChiKey: XILNKFRGKRUSEH-UHFFFAOYSA-N

物化性质

• 熔点：
  198-200°C
• 沸点：
  530.8±50.0 °C(Predicted)
• 密度：
  1.302±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  81
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  4-chloro-5,7-difluoro-3-methyl-2-(2-(methylsulfonyl)phenyl)quinoline 、 2-Methylsulfonyl-5-(morpholin-4-yl)aniline 、 sodium t-butanolate 、 甲苯 在 氯(2-二环己基膦基-2',4′,6′-三异丙基-1,1′-联苯基)[2-(2-氨基乙基)苯基)]钯(II) 氮气 、 水 、 乙酸乙酯 、 二氯甲烷 、 magnesium sulfate 作用下， 以 乙酸乙酯 为溶剂， 反应 18.0h， 生成 5,7-difluoro-3-methyl-N-(2-(methylsulfonyl)-5-morpholinophenyl)-2-(2-(methylsulfonyl)phenyl)quinolin-4-amine
  参考文献：
  名称：

  HETEROCYCLIC COMPOUNDS AND THEIR USES

  摘要：

  含有替代双环杂环芳基的化合物及其组合物，用于治疗一般性炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠道疾病、炎症性眼疾、炎症性或不稳定的膀胱疾病、牛皮癣、带有炎症成分的皮肤疾病、慢性炎症性疾病，包括但不限于自身免疫性疾病，如系统性红斑狼疮（SLE）、重症肌无力、类风湿性关节炎、急性播散性脑脊髓炎、特发性血小板减少性紫癜、多发性硬化症、Sjogren综合症和自身免疫性溶血性贫血，包括所有过敏反应形式的过敏症。本发明还提供了治疗与p110δ活性有关、依赖或相关的癌症的方法，包括但不限于白血病，如急性髓系白血病（AML）、骨髓增生异常综合症（MDS）、骨髓增生性疾病（MPD）、慢性髓性白血病（CML）、T细胞急性淋巴细胞白血病（T-ALL）、B细胞急性淋巴细胞白血病（B-ALL）、非霍奇金淋巴瘤（NHL）、B细胞淋巴瘤和实体肿瘤，如乳腺癌。

  公开号：

  US20100331293A1

文献信息

• HETEROCYCLIC COMPOUNDS AND THEIR USES
  申请人：Cushing Timothy D.

  公开号：US20100331293A1

  公开（公告）日：2010-12-30

  Substituted bicyclic heteroaryls and compositions containing them, for the treatment of general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, including but not restricted to autoimmune diseases such as systemic lupus erythematosis (SLE), myestenia gravis, rheumatoid arthritis, acute disseminated encephalomyelitis, idiopathic thrombocytopenic purpura, multiples sclerosis, Sjogren's syndrome and autoimmune hemolytic anemia, allergic conditions including all forms of hypersensitivity, The present invention also enables methods for treating cancers that are mediated, dependent on or associated with p110δ activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelo-dysplastic syndrome (MDS) myelo-proliferative diseases (MPD) Chronic Myeloid Leukemia (CML) T-cell Acute Lymphoblastic leukaemia (T-ALL) B-cell Acute Lymphoblastic leukaemia (B-ALL) Non Hodgkins Lymphoma (NHL) B-cell lymphoma and solid tumors, such as breast cancer.

  含有替代双环杂环芳基的化合物及其组合物，用于治疗一般炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠道疾病、炎症性眼部疾病、炎症性或不稳定膀胱疾病、牛皮癣、具有炎症成分的皮肤疾病、慢性炎症性疾病，包括但不限于自身免疫疾病如系统性红斑狼疮（SLE）、重症肌无力、类风湿性关节炎、急性播散性脑脊髓炎、特发性血小板减少性紫癜、多发性硬化症、干燥综合征和自身免疫性溶血性贫血，包括各种过敏症状，本发明还提供了治疗与p110δ活性有关的、依赖于或与之相关的癌症的方法，包括但不限于白血病，如急性髓系白血病（AML）、髓增生异常综合征（MDS）、髓增生性疾病（MPD）、慢性髓性白血病（CML）、T细胞急性淋巴细胞白血病（T-ALL）、B细胞急性淋巴细胞白血病（B-ALL）、非霍奇金淋巴瘤（NHL）、B细胞淋巴瘤和实体肿瘤，如乳腺癌。
• [EN] COMPOUND, COMPOUND FOR USE IN THE TREATMENT OF A PATHOLOGICAL CONDITION, A PHARMACEUTICAL COMPOSITION AND A METHOD FOR PREPARING SAID COMPOUND<br/>[FR] COMPOSÉ, COMPOSÉ DESTINÉ À ÊTRE UTILISÉ DANS LE TRAITEMENT D'UN ÉTAT PATHOLOGIQUE, COMPOSITION PHARMACEUTIQUE ET PROCÉDÉ DE PRÉPARATION DUDIT COMPOSÉ
  申请人：UNIV MUENCHEN TECH

  公开号：WO2018188785A1

  公开（公告）日：2018-10-18

  The invention concerns a compound, wherein the compound is a substance according to the following formula (I) wherein the ring A is a pyrrolidine, piperidine, morpholine, or imidazole residue or a substituted pyrrolidine, piperidine, morpholine, or imidazole residue, Q is -NH-, -NH-alkyl-, -0-, or -S- and R7 is -H, a substituted or non-substituted pyrrolidine, morpholine, triazine, or imidazole residue, or a multiply substituted or non-substituted piperidine residue, or a substituted or non-substituted alkylpyrrolidine, alkylpiperidine, alkylmorpholine, alkyltriazine, or alkylimidazole residue, alkyl, alkylester, alkenyl, alkenylester, alkynyl, alkynylester, aminoalkyl, cyanyl, -NO2, methylsulfonyl residue, or a non- substituted cycloalkyi residue, or a substituted or non-substituted form of any of the following residues: cycloalkylalkyi, cycloalkenyl, cycloalkenylalkyi, bicycloalkyi, bicycloalkylalkyi, bicycloalkenyl, bicycloalkenylalkyl, or another bicyclic residue, aryl, aminoaryl, heteroaryl, heteroaminoaryl, cyclyl, aminocyclyl, heterocyclyl, heteroaminocyclyl, aralkyl, aminoaralkyl, heterocycloalkyl, or heteroaminocycloalkyl, R2 is H, -CI, -Br, -CF3, -CH=CH2 or another alkenyl, -C≡CH or another alkynyl, phenyl or substituted phenyl, triazolyl or another heteroaryl, substituted triazolyl or another substituted heteroaryl, a residue of 9-BBN (9- borabicyclo[3.3.1 ]nonane), OBBD (9-oxa-10-borabicyclo[3.3.2]decane), trifluoroborate, boronic acid, or an ester of boronic acid and pinacol, methyliminodiacetic acid (MIDA), catechol, pinane diol, ethylene glycol, or propane diol or another boronic acid ester, pyrrolidine, piperidine, morpholine, or imidazole residue or a substituted pyrrolidine, piperidine, morpholine, or imidazole residue, Q is -NH-, -NH-alkyl- -0-, or -S- and R7 is -H, a substituted or non-substituted pyrrolidine, morpholine, triazine, or imidazole residue, or a multiply substituted or non-substituted piperidine residue, or a substituted or non-substituted alkylpyrrolidine, alkylpiperidine, alkylmorpholine, alkyltriazine, or alkylimidazole residue, alkyl, alkylester, alkenyl, alkenylester, alkynyl, alkynylester, aminoalkyl, cyanyl, -NO2, methylsulfonyl residue, or a non-substituted cycloalkyi residue, or a substituted or non-substituted form of any of the following residues: cycloalkylalkyl, cycloalkenyl, cycloalkenylalkyi, bicycloalkyi, bicycloalkylalkyi, bicycloalkenyl, bicycloalkenylalkyi, or another bicyclic residue, aryl, aminoaryl, heteroaryl, heteroaminoaryl, cyclyl, aminocyclyl, heterocyclyl, heteroaminocyclyl, aralkyl, aminoaralkyl, heterocycloalkyl, or heteroaminocycloalkyl, R3 is -H or -CH3, R4 is -H, -CI, -Br, -CH3, -CH(CH3)2 or -C(CH3)3, R5 is -H, -CH3, -CH(CH3)2 or -C(CH3)3, and R6 is -H or -CH3, or a salt of said substance.

  该发明涉及一种化合物，其中该化合物是根据以下式（I）的物质，其中环A是吡咯烷、哌啶、吗啉或咪唑残基或取代的吡咯烷、哌啶、吗啉或咪唑残基，Q为-NH-、-NH-烷基-、-O-或-S，R7为-H、取代或非取代的吡咯烷、吗啉、三嗪或咪唑残基，或多取代或非取代的哌啶残基，或取代或非取代的烷基吡咯烷、烷基哌啶、烷基吗啉、烷基三嗪或烷基咪唑残基、烷基、烷基酯、烯基、烯基酯、炔基、炔基酯、氨基烷基、氰基、-NO2、甲磺酰基残基，或非取代的环烷基残基，或以下残基的取代或非取代形式：环烷基烷基、环烷烯基、环烷烯基烷基、双环烷基、双环烷基烷基、双环烷烯基、双环烷烯基烷基，或另一种双环残基，芳基、氨基芳基、杂环芳基、杂氨基芳基、环烷基、氨基环烷基、杂环烷基、杂氨基环烷基、芳基烷基、氨基芳基烷基、杂环烷基，或杂氨基环烷基，R2为H、-Cl、-Br、-CF3、-CH=CH2或另一种烯基，-C≡CH或另一种炔基，苯基或取代苯基，三唑基或另一种杂环基，取代三唑基或另一种取代的杂环基，9-BBN（9-硼杂双环[3.3.1]壬烷）、OBBD（9-氧杂-10-硼杂双环[3.3.2]癸烷）、三氟硼酸盐、硼酸、或硼酸和脱水醇的酯，甲基亚胺二乙酸（MIDA）、邻苯二酚、蒎烷二醇、乙二醇，或丙二醇或另一种硼酸酯，吡咯烷、哌啶、吗啉或咪唑残基或取代的吡咯烷、哌啶、吗啉或咪唑残基，Q为-NH-、-NH-烷基-、-O-或-S-，R7为-H、取代或非取代的吡咯烷、吗啉、三嗪或咪唑残基，或多取代或非取代的哌啶残基，或取代或非取代的烷基吡咯烷、烷基哌啶、烷基吗啉、烷基三嗪或烷基咪唑残基、烷基、烷基酯、烯基、烯基酯、炔基、炔基酯、氨基烷基、氰基、-NO2、甲磺酰基残基，或非取代的环烷基残基，或以下残基的取代或非取代形式：环烷基烷基、环烷烯基、环烷烯基烷基、双环烷基、双环烷基烷基、双环烷烯基、双环烷烯基烷基，或另一种双环残基，芳基、氨基芳基、杂环芳基、杂氨基芳基、环烷基、氨基环烷基、杂环烷基、杂氨基环烷基、芳基烷基、氨基芳基烷基、杂环烷基，或杂氨基环烷基，R3为-H或-CH3，R4为-H、-Cl、-Br、-CH3、-CH（CH3）2或-C（CH3）3，R5为-H、-CH3、-CH（CH3）2或-C（CH3）3，R6为-H或-CH3，或所述物质的盐。
• 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS
  申请人：Amgen, Inc

  公开号：EP2445886B1

  公开（公告）日：2016-03-30
• US8940724B2
  申请人：——

  公开号：US8940724B2

  公开（公告）日：2015-01-27
• [EN] HETEROCYCLIC COMPOUNDS AND THEIR USES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：AMGEN INC

  公开号：WO2010151791A1

  公开（公告）日：2010-12-29

  Substituted bicyclic heteroaryls and compositions containing them, for the treatment of general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, including but not restricted to autoimmune diseases such as systemic lupus erythematosis (SLE), myestenia gravis, rheumatoid arthritis, acute disseminated encephalomyelitis, idiopathic thrombocytopenic purpura, multiples sclerosis, Sjoegren's syndrome and autoimmune hemolytic anemia, allergic conditions including all forms of hypersensitivity, The present invention also enables methods for treating cancers that are mediated, dependent on or associated with p110 activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelo-dysplastic syndrome (MDS) myelo-proliferative diseases (MPD) Chronic Myeloid Leukemia (CML) T-cell Acute Lymphoblastic leukaemia ( T-ALL) B-cell Acute Lymphoblastic leukaemia (B-ALL) Non Hodgkins Lymphoma (NHL) B-cell lymphoma and solid tumors, such as breast cancer.