5-[2-Ethyl-5-(6-methyl-pyridin-2-yl)-2H-[1,2,3]triazol-4yl]-benzo[1,2,5]thiadiazole | 428817-38-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-[2-Ethyl-5-(6-methyl-pyridin-2-yl)-2H-[1,2,3]triazol-4yl]-benzo[1,2,5]thiadiazole
• 英文别名: 5-[2-ethyl-5-(6-methylpyridin-2-yl)-2H-[1,2,3]triazol-4-yl]-benzo[1,2,5]thiadiazole；5-[2-ethyl-5-(6-methylpyridin-2-yl)triazol-4-yl]-2,1,3-benzothiadiazole
• CAS: 428817-38-3
• 化学式: C₁₆H₁₄N₆S
• 分子量: 322.393
• InChiKey: FSRXEKNOMXHHNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  97.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-[2-Ethyl-5-(6-methyl-pyridin-2-yl)-2H-[1,2,3]triazol-4yl]-benzo[1,2,5]thiadiazole 、 6-[5-(6-Methylpyridin-2-yl)-1H-[1,2,3]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine 、 2-[5(2,3-Dihydrobenzofuran-5-yl)-3H-[1,2,3]triazol-4-yl]-6-methylpyridine 、 2-[5-(2,3-dihydrobenzo[1,4]dioxin-6-yl)-2H-[1,2,3]triazol-4-yl]-6-methylpyridine 、 1-Methyl-6-[5-(6-methyl-pyridin-2-yl)-2H-[1,2,3]triazol-4-yl]-1H-benzimidazole 、 6-(2-Ethyl-5-(6-methylpyridin-2-yl)-2H-[1,2,3]triazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine 、 6-(2-Methyl-5-(6-methylpyridin-2-yl)-2H-[1,2,3]triazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine 、 2-[5-(4-Methoxyphenyl)-2H-[1,2,3]triazol-4-yl]-6-methylpyridine 、 2-[5-(3-fluoro-4-methoxyphenyl)-2H-[1,2,3]triazol-4-yl]-6-methylpyridine 、 2-[5-(3-Chloro-4-methoxyphenyl)-2H-[1,2,3]triazol-4-yl]-6-methylpyridine 生成 5-[5-(6-Methyl-pyridin-2-yl)1H-[1,2,3]triazol-4-yl]-benzo[1,2,5]thiadiazole
  参考文献：
  名称：

  CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS

  摘要：

  本发明公开了一种眼科制药组合物，可用于治疗青光眼和控制眼压，包括一种有效量的ALK5受体活性选择性调节剂。本发明还公开了一种治疗青光眼和控制眼压的方法，包括向患者受影响的眼睛中施用含有ALK5受体活性选择性调节剂的治疗有效量的药物组合物。

  公开号：

  US20120115870A1
• 作为产物：
  描述：

  6-[5-(6-Methylpyridin-2-yl)-1H-[1,2,3]triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine 生成 6-(2-Ethyl-5-(6-methylpyridin-2-yl)-2H-[1,2,3]triazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine 、 5-[2-Ethyl-5-(6-methyl-pyridin-2-yl)-2H-[1,2,3]triazol-4yl]-benzo[1,2,5]thiadiazole
  参考文献：
  名称：

  Pyridyl-substituted triazoles as tgf inhibitors

  摘要：

  式（I）的吡啶基取代三唑化合物 其中R 1 是萘基或苯基，可选地取代为来自卤素、—O—C 1-6 烷基、—S—C 1-6 烷基、C 1-6 烷基、C 1-6 卤代烷基、—O—(CH 2 ) n -苯基、—S—(CH 2 ) n -苯基、氰基、苯基和CO 2 R的一种或多种取代基，其中R为氢或C 1-6 烷基，n为0、1、2或3；或R 1 是与含有5-7个成员的芳香或非芳香环的苯基融合的苯基，其中所述环可选地包含最多三个异原子，独立选择自N、O和S，N可能进一步可选地被C 1-6 烷基取代； R 2 为H、C 1-6 烷基、C 1-6 烷氧基、苯基、NH(CH 2 ) n -苯基、NH—C 1-6 烷基、卤素、氰基、硝基、CONHR和SO 2 NHR； X 1 、X 2 和X 3 中的两个为N，另一个为NR 3 ，其中R 3 为氢、C 1-6 烷基、C 3-7 环烷基、—(CH 2 ) p —CN、—(CH 2 ) p —CO 2 H、—(CH 2 ) p —CONHR 4 R 5 、—(CH 2 ) p COR 4 、—(CH 2 ) q (OR 6 ) 2 、—(CH 2 ) p OR 4 、—(CH 2 ) q —CH═CH—CN、—(CH 2 ) q —CH═CH—CO 2 H、—(CH 2 ) p —CH═CH—CONHR 4 R 5 、(CH 2 ) p NHCOR 7或(CH 2 ) p NR 8 R 9 ； R 4 和R 5 独立地为氢或C 1-6 烷基； R 6 为C 1-6 烷基； R 7 为C 1-7 烷基，或可选地取代的芳基、杂环芳基、芳基C 1-6 烷基或杂环芳基C 1-6 烷基； R 8 和R 9 独立地选择自氢、C 1-6 烷基、芳基和芳基C 1-6 烷基； p为0-4；和 q为1-4。 以及其盐和溶剂化合物，公开了它们的制备方法、含有它们的药物组合物以及它们在医学中的用途。

  公开号：

  US20040152738A1

文献信息

• PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1335916A1

  公开（公告）日：2003-08-20
• EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS
  申请人：Ichida Justin

  公开号：US20120021519A1

  公开（公告）日：2012-01-26

  The disclosure features a method of producing a reprogrammed cell (e.g. an induced pluripotent stem cell or an undifferentiated cell) from a differentiated (e.g. somatic) cell. In some embodiments, the methods includes contacting a differentiated (e.g. somatic cell) with a TGFBR1 inhibitor or anti-TGF-β-antibody to produce a reprogrammed cell (e.g. pluripotent stem cell or undifferentiated cell). Embodiments of the present invention relate to a reprogrammed cell and methods and compositions for producing a chemically produced reprogrammed cell or populations thereof.
• [EN] PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS<br/>[FR] TRIAZOLES SUBSTITUES PAR PYRIDYLE UTILISES EN TANT QU'INHIBITEURS DU TGF
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2002040476A1

  公开（公告）日：2002-05-23

  Pyridyl substituted triazoles of formula (I): wherein R1 is naphthyl or phenyl optionally substituted with one or more substituents selected from the group consisting of halo, -O-C1-6alkyl, -S-C1-6alkyl, C1-6alkyl, C1-6haloalkyl, -O-(CH2)n-Ph, -S-(CH2)n-Ph, cyano, phenyl, and CO2R, wherein R is hydrogen or C1-6alkyl, and n is 0, 1, 2 or 3, or R1 is phenyl fused with an aromatic or non-aromatic cyclic ring of 5-7 members wherein said cyclic ring optionally contains up to three heteroatoms, independently selected from N, O and S, and N may be further optionally substituted by C1-6alkyl; R2 is H, C1-6alkyl, C1-6alkoxy, phenyl, NH(CH2)n-Ph, NH-C1-6alkyl, halo, CN, NO2, CONHR and SO2NHR; two of X1, X2 and X3 are N and the other is NR3 wherein R3 is hydrogen, C1-6alkyl, C3-7cycloalkyl, -(CH2)p-CN, -(CH2)p-CO2H, -(CH2)p-CONHR4R5, -(CH2)pCOR4, -(CH2)q(OR6)2, -(CH2)pOR4,-CH=CH-CN, -(CH2)q-CH=CH-CO2H, -(CH2)p-CH=CH-CONHR4R5, (CH2)pNHCOR7 or (CH2)pNR8R9; R4 and R5 are independetly hydrogen or C1-6alkyl; R6 is C1-6alkyl; R7 is C1-7alkyl, or optionally substituted aryl, heteroaryl, arylC1-6alkyl or heteroarylC1-6alkyl; R8 and R9 are independently selected from hydrogen, C1-6alkyl, aryl and arylC1-6alkyl; p is 0-4; and q is 1-4. And salts and solvates thereof, are disclosed, as are methods for their prepartion pharmaceutical compositons containing them and their use in medicine.
• [EN] CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS<br/>[FR] CONTROLE DE LA PRESSION INTRAOCULAIRE A L'AIDE D'AGENTS DE MODULATION D'ALK5
  申请人：ALCON INC

  公开号：WO2007070866A2

  公开（公告）日：2007-06-21

  [EN] An ophthalmic pharmaceutical composition useful in the treatment of glaucoma and control of intraocular pressure comprising an effective amount of a selective modulator of ALK5 receptor activity is disclosed. Also disclosed is a method of treating glaucoma and controlling intraocular pressure comprising applying a therapeutically effective amount of a pharmaceutical composition comprising a selective modulator of ALK5 receptor activity to an affected eye of a patient.
  [FR] L'invention concerne une composition pharmaceutique ophtalmique qui peut être utilisée dans le traitement du glaucome et le contrôle de la pression intramusculaire. La composition comprend une quantité efficace d'un modulateur sélectif de l'activité des récepteurs d'ALK5. L'invention concerne également un procédé de traitement du glaucome et du contrôle de la pression intraoculaire qui comprend les étapes qui consistent à appliquer une quantité thérapeutiquement efficace d'une composition pharmaceutique qui contient un modulateur sélectif de l'activité des récepteurs d'ALK5 à l'oeil affecté d'un patient.
• [EN] EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS<br/>[FR] INDUCTION EFFICACE DE CELLULES SOUCHES PLURIPOTENTES AU MOYEN DE COMPOSÉS À PETITE MOLÉCULE
  申请人：HARVARD COLLEGE

  公开号：WO2010033906A2

  公开（公告）日：2010-03-25

  The disclosure features a method of producing a reprogrammed cell (e.g. an induced pluripotent stem cell or an undifferentiated cell) from a differentiated (e.g. somatic) cell. In some embodiments, the methods includes contacting a differentiated (e.g. somatic cell) with a TGFBR1 inhibitor or anti-TGF-β-antibody to produce a reprogrammed cell (e.g. pluripotent stem cell or undifferentiated cell). Embodiments of the present invention relate to a reprogrammed cell and methods and compositions for producing a chemically produced reprogrammed cell or populations thereof.