5-(氨基甲基)-2-氯苯胺 | 94568-51-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-(氨基甲基)-2-氯苯胺
• 英文名称: 3-amino-4-chlorobenzylamine
• 英文别名: 5-(Aminomethyl)-2-chloroaniline
• CAS: 94568-51-1
• 化学式: C₇H₉ClN₂
• mdl: MFCD03410956
• 分子量: 156.615
• InChiKey: PLYPQPNMLWQERN-UHFFFAOYSA-N

物化性质

• 沸点：
  281.0±25.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(氨基甲基)-2-氯苯胺 在 polystyrene-EDC 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[1-[2-[5-(aminomethyl)-2-chloroanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide
  参考文献：
  名称：

  Synthesis of potent and selective 2-azepanone inhibitors of human tryptase

  摘要：

  The serine protease tryptase has been associated with a broad range of allergic and inflammatory diseases and, in particular, has been implicated as a critical mediator of asthma. The inhibition of tryptase therefore has the potential to be a valuable therapy for asthma. The synthesis, employing solution phase parallel methods, and SAR of a series of novel 2-azepanone tryptase inhibitors are presented. A member of this series, 8t, was identified as a potent inhibitor of human tryptase (IC50 = 38 nM) with selectivity less than or equal to330-fold versus related serine proteases (trypsin, plasmin, uPA, tPA, APC, alpha-thrombin, and FXa). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.016
• 作为产物：
  描述：

  3-氨基-4-氯苯腈 在 Ra-Nickel 氨 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、300.01 kPa 条件下， 反应 4.0h， 生成 5-(氨基甲基)-2-氯苯胺
  参考文献：
  名称：

  [EN] 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS
  [FR] 3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXAMIDES EN TANT QU'ANTI-INFLAMMATOIRES

  摘要：

  本发明涉及通式(I)中的化合物，其中A、L、M、Q2、Q3、Q4、R1、R5、Ra、Rb、Rc、W、X、Y、Z1、Z2、Z3在描述中有定义，及其盐，特别是其生理上可接受的盐。这些化合物可能在治疗和/或预防炎症性疾病及相关症状方面具有潜在的用途，特别是在治疗和/或预防疼痛方面。本发明还涉及将这些化合物用作药物、含有它们的药物组合物以及它们的制备。

  公开号：

  WO2010100249A1

文献信息

• [EN] 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS<br/>[FR] 3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXAMIDES EN TANT QU'ANTI-INFLAMMATOIRES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010100249A1

  公开（公告）日：2010-09-10

  The present invention relates to compounds of general formula (I) in which A, L, M, Q2, Q3, Q4, R1, R5, Ra, Rb, Rc, W, X, Y, Z1, Z2, Z3 are defined in the description, the salts thereof, particularly the physiologically acceptable salts thereof. The compounds are of potential utility in the treatment and/or prevention of inflammatory diseases and associated conditions, in particular, in the treatment and/or prevention of pain. The invention also relates to the use of such compounds as medicaments, to pharmaceutical compositions containing them, and to their preparation.

  本发明涉及通式(I)中的化合物，其中A、L、M、Q2、Q3、Q4、R1、R5、Ra、Rb、Rc、W、X、Y、Z1、Z2、Z3在描述中有定义，及其盐，特别是其生理上可接受的盐。这些化合物可能在治疗和/或预防炎症性疾病及相关症状方面具有潜在的用途，特别是在治疗和/或预防疼痛方面。本发明还涉及将这些化合物用作药物、含有它们的药物组合物以及它们的制备。
• [EN] TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS<br/>[FR] COMPOSÉS TRIAZOLONE UTILISÉS COMME INHIBITEURS DE LA MPGES-1
  申请人：GLENMARK PHARMACEUTICALS SA

  公开号：WO2013186692A1

  公开（公告）日：2013-12-19

  The present disclosure is directed to compounds of formula (I), and pharmaceutically acceptable salts thereof, as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

  本公开涉及式(I)的化合物及其药用盐，作为mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此在治疗来自各种疾病或病况的疼痛和/或炎症方面具有用处，如哮喘、骨关节炎、类风湿关节炎、急性或慢性疼痛和神经退行性疾病。
• Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy
  申请人：Moravcova Daniela

  公开号：US20050080097A1

  公开（公告）日：2005-04-14

  The invention relates to 3-, 5-, 7-trisubstituted pyrazolo[4,3-d]pyrimidines represented by the general formula I and pharmaceutically acceptable salts thereof, wherein R3 is an optionally substituted alkyl, cycloalkyl, cycloheteroalkyl, cycloalkyl alkyl, aryl or alkylaryl group; R5 is halogen, —NHNH 2 , —NHOH, NHCONH 2 , guanylo (NH—C(NH)NH 2 ) an optionally substituted C 1 -C 6 alkyl, alkenyl, alkinyl, C 3 -C 15 cycloalkyl, R f (C 3 -C 15 cycloalkyl), heterocycle, heteroalkyl, aryl, heteroaryl, arylalkyl, cycloheteroalkyl, cycloheteroalkyl alkyl, heteroarylalkyl group, the group —C(O)—R a , —C(O)NR b R c , —SO 3 R d , or —NHC(O)R e , wherein R a and R f are an optionally substituted C 1 -C 6 alkyl, alkenyl, or alkinyl group, R b , R c and R d are independently selected from the group consisting of H, optionally substituted C 1 -C 6 alkyl, alkenyl, or alkinyl group, and R e is a hydroxy, amino, alkoxy, alkylamino, optionally substituted C 1 -C 6 alkyl, alkenyl or alkinyl group; or the group —X—R 5′ , wherein X is —NH—, —O—, —S— or —N(alkyl)- and R 5 ′ is hydrogen, an optionally substituted C 1 -C 6 alkyl, alkenyl, alkinyl, C 3 -C 15 cycloalkyl, Rf(C 3 -C 15 cycloalkyl), aryl, heterocycle, hetero C 1 -C 6 alkyl, arylalkyl, heteroaryl, cycloheteroalkyl, cycloheteroalkyl alkyl, or heteroarylalkyl group, the group —C(O)—R a , —C(O)NR b R c , —SO 3 R d , or —NHC(O)R e , wherein R a , R b , R c , R d , R e and R f have the above meaning, and R7 is halogen, —NHNH 2 , NHOH, NHCONH 2 , guanylo (NH—C(NH)NH 2 ) or the group —X—R 7′ , wherein X has the above meaning and the meaning of R 7′ is as defined for R 5′ .

  本发明涉及一种由通式I表示的3-，5-，7-三取代吡唑并[4,3-d]嘧啶及其药学上可接受的盐，其中R3是可选取代的烷基，环烷基，环杂烷基，环烷基烷基，芳基或烷基芳基基团；R5是卤素，—NHNH2，—NHOH，NHCONH2，鸟苷基（NH—C(NH)NH2）可选取代的C1-C6烷基，烯基，炔基，C3-C15环烷基，Rf（C3-C15环烷基），杂环，杂烷基，芳基，杂芳基，芳基烷基，环杂烷基，环杂烷基烷基，杂芳基烷基基团，基团—C(O)—Ra，—C(O)NRbRc，—SO3Rd，或—NHC(O)Re，其中Ra和Rf是可选取代的C1-C6烷基，烯基或炔基，Rb，Rc和Rd是独立选择自H，可选取代的C1-C6烷基，烯基或炔基，Re是羟基，氨基，烷氧基，烷基氨基，可选取代的C1-C6烷基，烯基或炔基；或基团—X—R5′，其中X是—NH—，—O—，—S—或—N（烷基）-，R5′是氢，可选取代的C1-C6烷基，烯基，炔基，C3-C15环烷基，Rf（C3-C15环烷基），芳基，杂环，杂C1-C6烷基，芳基烷基，杂芳基，环杂烷基，环杂烷基烷基，或杂芳基烷基基团，基团—C(O)—Ra，—C(O)NRbRc，—SO3Rd，或—NHC(O)Re，其中Ra，Rb，Rc，Rd，Re和Rf具有上述含义，R7是卤素，—NHNH2，NHOH，NHCONH2，鸟苷基（NH—C(NH)NH2）或基团—X—R7′，其中X具有上述含义，R7′的含义如R5′所定义。
• Azapurine derivatives
  申请人：Fuksova Kveta

  公开号：US20060035909A1

  公开（公告）日：2006-02-16

  The present invention relates to a compound of formula I, or a pharmaceutically acceptable acid salt thereof. The invention further relates to the use of said compounds in the treatment of hyperproliferative skin disorders, viral infections, cancer, rheumatoid arthritis, lupus, type I diabetes, multiple sclerosis, restenosis, polycystic kidney disease, graft rejection, graft versus host disease and gout, or for psoriasis, parasitoses such as those caused by fungi or protists, or Alzheimer's disease. Further aspects of the invention relate to the use of such compounds in the inhibition of cell proliferation, in the induction of apoptosis, to modulate the activity of adrenergic and/or purinergic receptors or to suppress immunostimulation. The invention also relates to the use of 2,6,9-trisubstituted 8-azapurines in maintaining mammalian ooctyes at the germinal vesicle stage.

  本发明涉及式I的化合物或其药学上可接受的酸盐。本发明进一步涉及使用该化合物治疗过度增生性皮肤疾病、病毒感染、癌症、类风湿性关节炎、狼疮、I型糖尿病、多发性硬化症、再狭窄、多囊肾病、移植排斥、移植物抗宿主病和痛风，或用于治疗牛皮癣、由真菌或原生生物引起的寄生虫病或阿尔茨海默病。本发明的其他方面涉及使用这些化合物抑制细胞增殖，诱导细胞凋亡，调节肾上腺素能和/或嘌呤能受体的活性或抑制免疫刺激。本发明还涉及使用2,6,9-三取代8-氮杂嘌呤维持哺乳动物卵母细胞处于生殖泡阶段。
• Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds
  申请人：Dolezal Karel

  公开号：US20050043328A1

  公开（公告）日：2005-02-24

  New heterocyclic derivatives based on N 6 -substituted adenine, having anticancer, mitotic, imunosuppressive and antisenescent propoerties for plant, animal and human cells and methods of their preparation. Included are also pharmaceutical compositions, cosmetic preparations and growth regulators, which contain these derivatives as active compound and the use of these derivatives for the preparation of drugs, cosmetic preparations, in biotechnological processes, in cosmetics and in agriculture.

  基于N6-取代腺嘌呤的新杂环衍生物具有抗癌、有丝分裂、免疫抑制和抗衰老的性质，适用于植物、动物和人类细胞，并提供其制备方法。还包括含有这些衍生物作为活性化合物的药物组合物、化妆品制剂和生长调节剂，以及这些衍生物用于制备药物、化妆品制剂、生物技术过程、化妆品和农业的用途。