(RS)-S-(3-{[4-{[(R)-2-hydroxy-1-methylethyl]amino}-5-iodopyrimidin-2-yl]amino}phenyl)-N-(isopropylcarbamoyl)-S-methyl-sulfoximide | 1002358-23-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (RS)-S-(3-{[4-{[(R)-2-hydroxy-1-methylethyl]amino}-5-iodopyrimidin-2-yl]amino}phenyl)-N-(isopropylcarbamoyl)-S-methyl-sulfoximide
• 英文别名: 1-[[3-[[4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-iodopyrimidin-2-yl]amino]phenyl]-methyl-oxo-lambda6-sulfanylidene]-3-propan-2-ylurea；1-[[3-[[4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-iodopyrimidin-2-yl]amino]phenyl]-methyl-oxo-λ6-sulfanylidene]-3-propan-2-ylurea
• CAS: 1002358-23-7
• 化学式: C₁₈H₂₅IN₆O₃S
• 分子量: 532.405
• InChiKey: QHNPUSVHBDYCJM-ICTCQJIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (RS)-S-(3-{[4-{[(R)-2-hydroxy-1-methylethyl]amino}-5-iodopyrimidin-2-yl]amino}phenyl)-N-(isopropylcarbamoyl)-S-methyl-sulfoximide 、 1-ethoxy-4-[2-(trimethylsilyl)ethynyl]benzene 在 bis-triphenylphosphine-palladium(II) chloride 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 以42%的产率得到(RS)-S-(3-[5-(4-ethoxy-phenyl-ethynyl)-4-((R)-2-hydroxy-1-methyl-ethylamino)-pyrimidin-2-ylamino]-phenyl)-N-(isopropylcarbamoyl)-S-methylsulfoximide
  参考文献：
  名称：

  WO2008/155140

  摘要：

  公开号：

文献信息

• SUBSTITUTED SULPHOXIMINES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME
  申请人：Hartung Ingo

  公开号：US20080064696A1

  公开（公告）日：2008-03-13

  The invention relates to substituted sulphoximines according to the general formula (I): in which A, E, G, X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , m, p, q, are given in the claims, and salts thereof, to pharmaceutical compositions comprising said substituted sulphoximines, to methods of preparing said substituted sulphoximines as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.

  本发明涉及通式（I）的取代磺酰肟化合物，其中A、E、G、X、R1、R2、R3、R4、R5、R6、R7、R8、m、p、q在权利要求书中给出，以及其盐，制备该取代磺酰肟化合物的方法，以及将其用于制造用于治疗失调血管生长疾病或伴随失调血管生长的疾病的药物组合物，其中该化合物有效地干扰Tie2信号传导。
• ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME
  申请人：Hartung Ingo

  公开号：US20090099219A1

  公开（公告）日：2009-04-16

  The invention relates to alkynylpyrimidines according to the general formula (I): in which A, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are as defined in the claims, and salts, N-oxides, metabolites, solvates, tautomers and prodrugs thereof, to pharmaceutical compositions comprising said alkynylpyrimidines, to methods of preparing said alkynylpyrimidines, as well as to uses thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 and VEGFR2 signalling.

  本发明涉及一种按照通式（I）定义的炔基嘧啶化合物，其中A、R1、R2、R3、R4、R5和R6如权利要求所定义的，并且其盐、N-氧化物、代谢物、溶剂合物、互变异构体和前药，以及包含该炔基嘧啶化合物的制药组合物，制备该炔基嘧啶化合物的方法，以及用于制备治疗失调血管生长疾病或伴随失调血管生长的疾病的制药组合物的用途，其中该化合物有效干扰Tie2和VEGFR2信号传导。
• US8003655B2
  申请人：——

  公开号：US8003655B2

  公开（公告）日：2011-08-23
• US8642611B2
  申请人：——

  公开号：US8642611B2

  公开（公告）日：2014-02-04
• [EN] SUBSTITUTED SULPHOXIMINES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME<br/>[FR] SULFOXIMINES SUBSTITUÉES en tant qu'inhibiteurs de TIE2 ET LEURS SELS, LES COMPOSITIONS PHARMACEUTIQUES LES INCLUANT, LEURS MÉTHODES DE SYNTHÈSE ET LEURS APPLICATIONS
  申请人：BAYER SCHERING PHARMA AG

  公开号：WO2008006560A1

  公开（公告）日：2008-01-17

  [EN] The invention relates to substituted sulphoximines according to the general formula (I):in which A, E, G, X, R¹, R² , R³, R⁴, R⁵, R⁶, R⁷, R⁸, m, p, q, are given in the claims, and salts thereof, to pharmaceutical compositions comprising said substituted sulphoximines, to methods of preparing said substituted sulphoximines as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.
  [FR] La présente invention concerne des sulfoximines substituées de formule générale (I) : où A, E, G, X, R¹, R^2, R³, R⁴, R⁵, R⁶, R⁷, R⁸, m, p, q sont tels que définis dans les revendications, ainsi que leurs sels, les compositions pharmaceutiques comprenant lesdites sulfoximines substituées, les méthodes de synthèse desdites sulfoximines substituées et leur emploi dans la fabrication d'une composition pharmaceutique destinée au traitement de maladies impliquant un dérèglement de la croissance vasculaire ou de maladies accompagnées d'un dérèglement de la croissance vasculaire, les composés interférant de façon active avec la signalisation par Tie2.