4-(3-(2H-1,2,3-triazol-2-yl)phenylamino)-2-((1R, 2S)-2-aminocyclohexylamino)pyrimidine-5-carboxamide acetic acid salt | 1370261-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(3-(2H-1,2,3-triazol-2-yl)phenylamino)-2-((1R, 2S)-2-aminocyclohexylamino)pyrimidine-5-carboxamide acetic acid salt
• 英文别名: PRT062607；P505-15；4-(3-(2H-1,2,3-Triazo-2-yl)phenylamino)-2-((1R,2S)-2-aminocyclohexylamino) pyrimidine-5-carboxamide acetate；acetic acid;2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
• CAS: 1370261-98-5
• 化学式: C₂H₄O₂*C₁₉H₂₃N₉O
• 分子量: 453.504
• InChiKey: ISHXQLKRUSVKDD-IDVLALEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  187
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N-((2S,1S)-2-羟基环己基)氨基甲酸叔丁酯 在 盐酸 、 sodium azide 、 15-冠醚-5 、 palladium 10% on activated carbon 、 氢气 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 N-甲基吡咯烷酮 、 甲醇 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 100.0 ℃ 、100.0 kPa 条件下， 反应 18.67h， 生成 4-(3-(2H-1,2,3-triazol-2-yl)phenylamino)-2-((1R, 2S)-2-aminocyclohexylamino)pyrimidine-5-carboxamide acetic acid salt
  参考文献：
  名称：

  [EN] CYCLOHEXANEDIAMINE COMPOUNDS AND METHODS FOR THEIR PREPARATION
  [FR] COMPOSÉS DE CYCLOHEXANEDIAMINE ET LEURS PROCÉDÉS DE PRÉPARATION

  摘要：

  本发明提供了一种制备式Ia环己二胺化合物及其中间体的方法。这些化合物可用作Syk激酶抑制剂，并可用于各种药物组合物中，特别适用于治疗至少部分由Syk激酶活性介导的疾病。

  公开号：

  WO2014152768A1

文献信息

• CYCLOHEXANEDIAMINE COMPOUNDS AND METHODS FOR THEIR PREPARATION
  申请人：PORTOLA PHARMACEUTICALS, INC.

  公开号：US20160009694A1

  公开（公告）日：2016-01-14

  The present invention provides processes for the preparation of cyclohexanediamine compounds of formula Ia and intermediates thereof. The compounds are useful as Syk kinase inhibitors and in various pharmaceutical compositions, and particularly useful for treating conditions mediated at least in part by Syk kinase activity.

  本发明提供了制备式Ia的环己二胺化合物及其中间体的过程。该化合物可用作Syk激酶抑制剂和各种制药组合物，并且特别适用于治疗至少部分由Syk激酶活性介导的疾病。
• Fungal iron acquisition inhibitors and uses thereof
  申请人：Case Western Reserve University

  公开号：US11229685B2

  公开（公告）日：2022-01-25

  A method of treating a fungal infection in a subject includes topically administering to the subject a therapeutically effective amount of a fungal iron acquisition inhibitor to treat fungal infection in the subject.

  一种治疗受试者真菌感染的方法，包括向受试者局部施用治疗有效量的真菌铁获得抑制剂，以治疗受试者的真菌感染。
• COMBINATION THERAPY WITH 4-(3-(2H-1,2,3-TRIAZOL-2-YL)PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO)PYRIMIDINE-5-CARBOXAMIDE
  申请人：Sinha Uma

  公开号：US20130244963A1

  公开（公告）日：2013-09-19

  The present invention is directed to pharmaceutical compositions and methods of using combination therapies containing a SYK inhibitor, or a pharmaceutically acceptable salt thereof, and a antineoplastic or antiinflammatory agent for the treatment of inflammatory, autoimmune and cell proliferative diseases, such as allergic reaction, transplant rejection, rheumatoid arthritis (RA), lupus, multiple sclerosis (MS) or psoriasis undesired acute myeloid leukemia (AML), chronic lymphocytic leukemia (CLL), non-Hodgkin lymphoma (NHL) (including diffuse large B cell lymphoma (DLBCL)), mantle cell lymphoma, acute lymphocytic leukemia (ALL), follicular lymphoma, Burkitt's lymphoma, small Lymphocytic (SLL), Lymphoma, multiple myeloma, asthma, vasculitis, Idiopathic thrombocytopenic purpura (ITP), Heparin Induced Thrombocytopenia (HIT) and hemolytic anemia.
• COMBINATION THERAPY OF 4-(3-(2H-1,2,3-TRIAZO-2-YL)PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO)PYRIMIDINE-5-CARBOXAMIDE AND FLUDARABINE
  申请人：Sinha Uma

  公开号：US20130252917A1

  公开（公告）日：2013-09-26

  The present invention is directed to pharmaceutical compositions and methods of using combination therapies containing 4-(3-(2H-1,2,3-triazol-2-yl)phenylamino)-2-(1R,2S)-2-aminocyclohexylamino)pyrimidine-5-carboxamide, or a pharmaceutically acceptable salt thereof, and fludarabine for the treatment of cell proliferative disorders, such as undesired acute myeloid leukemia (AML), chronic lymphocytic leukemia (CLL), non-Hodgkin lymphoma (NHL), including diffuse large B cell lymphoma (DLBCL); mantle cell lymphoma, acute lymphocytic leukemia (ALL), follicular lymphoma, Burkitt's lymphoma, small Lymphocytic Lymphoma (SLL) and multiple myeloma.
• TREATMENT FOR MICROBE-INDUCED INFLAMMATORY RESPONSES IN THE EYE
  申请人：ALCON RESEARCH, LTD.

  公开号：US20130274216A1

  公开（公告）日：2013-10-17

  The present invention relates to ophthalmic compositions comprising inhibitors of spleen tyrosine kinase (syk). The compositions are particularly well suited for the treatment of ophthalmic infection such as fungal keratitis. The compositions optionally comprise an antiinfective compound such as an antibacterial or antifungal compound. The present invention also relates to methods for treating fungal keratitis using compositions comprising syk inhibitors.