941685-26-3 (4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7h-吡咯并[2,3-d]嘧啶,2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethyl-silane)

CAS号:
941685-26-3
中文名称:
4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7h-吡咯并[2,3-d]嘧啶
英文名称:
2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethyl-silane
分子式:
C12H18ClN3OSi
分子量:
283.829322338104

4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7h-吡咯并[2,3-d]嘧啶(941685-26-3)名称与标识符

名称

中文别名:
4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7h-吡咯并[2,3-d]嘧啶;4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7H-吡咯并[2,3-d]嘧;4-氯-7 - ((2-(三甲基硅基)乙氧基)甲基)-7H-吡咯并[2,3-D]嘧啶;4-氯-7-[[2-(三甲基硅烷基)乙氧基]甲基]-7H-吡咯并[2,3-d]嘧啶;
英文别名:
4-Chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;7-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE;7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[[2-(trimethylsilyl)ethoxy]methyl]-;4-chloro-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidine;AK122028;4-Chloro-7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidine;C12H18ClN3OSi;YWBDBLXIRAQZIH-UHFFFAOYSA-N;BCP17266;6058AC;4-Chloro-7-(2-trimethylsilanyl-ethoxymethyl)-7H-;4-Chloro-7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidine (ACI);4-Chloro-7-[[2-(trimethylsilanyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethyl-silane;

标识符

MDL:
MFCD11857752
InChIKey:
YWBDBLXIRAQZIH-UHFFFAOYSA-N
Inchi:
1S/C12H18ClN3OSi/c1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16/h4-5,8H,6-7,9H2,1-3H3
SMILES:
ClC1C2C=CN(C=2N=CN=1)COCC[Si](C)(C)C

4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7h-吡咯并[2,3-d]嘧啶(941685-26-3)物化性质

实验特性

  • LogP : 3.39700
  • PSA : 39.94000
  • 溶解度 : Insuluble (5.4E-3 g/L) (25 ºC),
  • 密度 : 1.17±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 283.09100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 5
  • 重原子数量 : 18
  • 复杂度 : 275
  • 拓扑分子极性表面积 : 39.9

4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7h-吡咯并[2,3-d]嘧啶(941685-26-3)安全信息

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4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7h-吡咯并[2,3-d]嘧啶(941685-26-3)合成路线

合成路线:1 步
反应条件:
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Pyrrolopyrimidine-derived compound and pharmaceutical composition and application thereof
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Pyrrolopyrimidine-derived compound and pharmaceutical composition and for treating tumor and autoimmune disease
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合成路线:1 步
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Pyrrolo[2,3-d]pyrimidine derivatives as JAK1 inhibitors and their preparation and use for the treatment of myelodysplastic syndromes
, World Intellectual Property Organization, , ,
合成路线:1 步
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Preparation of piperidin-4-yl azetidine derivatives as JAK1 inhibitors
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合成路线:1 步
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Pyrrolopyrimidine crystal as JAK inhibitor and its preparation
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合成路线:1 步
反应条件:
参考文献:
Process for the preparation of (R)-3-amino-β-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile
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合成路线:1 步
反应条件:
参考文献:
Pyrrolopyrimidine-pyrazole-cyclopentane compounds as Janus kinase inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Design and Synthesis of Ligand Efficient Dual Inhibitors of Janus Kinase (JAK) and Histone Deacetylase (HDAC) Based on Ruxolitinib and Vorinostat
Yao, Lianbin; Mustafa, Nurulhuda; Tan, Eng Chong; Poulsen, Anders ; Singh, Prachi; et al, Journal of Medicinal Chemistry, 2017, 60(20), 8336-8357
合成路线:1 步
反应条件:
参考文献:
Preparation of pyrrolopyrimidines as Janus kinase inhibitors
, China, , ,