6-苯基咪唑并[2,1-B][1,3]噻唑-5-胺 | 94574-42-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 6-苯基咪唑并[2,1-B][1,3]噻唑-5-胺
• 英文名称: 6-phenylimidazo[2,1-b]thiazol-5-amine
• 英文别名: 6-Phenyl-5-amino-imidazo<2.1-b>thiazol；6-phenyl-imidazo[2,1-b]thiazol-5-ylamine；6-Phenylimidazo[2,1-b][1,3]thiazol-5-amine
• CAS: 94574-42-2
• 化学式: C₁₁H₉N₃S
• mdl: MFCD06372766
• 分子量: 215.279
• InChiKey: PBWGCNFJKNQDGV-UHFFFAOYSA-N

物化性质

• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzoic acid 、 6-苯基咪唑并[2,1-B][1,3]噻唑-5-胺 在 N,N-二异丙基乙胺 、 ((3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 3-(1-methyl-1H-pyrazol-3-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-4-(trifluoromethyl)benzamide
  参考文献：
  名称：

  [EN] TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF
  [FR] INHIBITEURS DE LA KINASE TRKA, COMPOSITIONS ET MÉTHODES ASSOCIÉES

  摘要：

  公开号：

  WO2015143652A8
• 作为产物：
  描述：

  5-nitroso-6-phenylimidazo[2,1-b][1,3]thiazole 在 锌 作用下， 以 溶剂黄146 为溶剂， 生成 6-苯基咪唑并[2,1-B][1,3]噻唑-5-胺
  参考文献：
  名称：

  Pyl,T. et al., Justus Liebigs Annalen der Chemie, 1962, vol. 657, p. 113 - 120

  摘要：

  DOI：

文献信息

• [EN] PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS<br/>[FR] COMPOSÉS DE N-PYRROLIDINYLE URÉE, THIO-URÉE,GUANIDINE ET CYANOGUANIDINE EN TANT QU'INHIBITEURS DE LA KINASE TRKA
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2014078372A1

  公开（公告）日：2014-05-22

  Compounds of Formula I: or stereoisomers, tautomers, or pharmaceutically acceptable salts, or solvates or prodrugs thereof, where R1, R2, Ra, Rb, Rc, Rd, X, Ring B, and Ring C are as defined herein, and wherein Ring B moiety and the NH-C(=X)-NH moiety are in the trans configuration, are inhibitors of TrkA kinase and are useful in the treatment of diseases which can be treated with a TrkA kinase inhibitor such as pain, cancer, inflammation/inflammatory diseases, neurodegenerative diseases, certain infectious diseases, Sjogren's syndrome, endometriosis, diabetic peripheral neuropathy, prostatitis and pelvic pain syndrome.

  化合物的公式I：或其立体异构体、互变异构体、药用可接受的盐、溶剂合物或前药，其中R1、R2、Ra、Rb、Rc、Rd、X、环B和环C的定义如本文所述，并且环B基团和NH-C(=X)-NH基团处于反式构型，是TrkA激酶的抑制剂，对可以用TrkA激酶抑制剂治疗的疾病具有用处，如疼痛、癌症、炎症/炎症性疾病、神经退行性疾病、某些传染病、干燥综合征、子宫内膜异位症、糖尿病周围神经病变、前列腺炎和盆腔疼痛综合征。
• TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3122345A2

  公开（公告）日：2017-02-01
• TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3122345B1

  公开（公告）日：2020-12-16
• PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS
  申请人：ARRAY BIOPHARMA INC.

  公开号：US20160297758A1

  公开（公告）日：2016-10-13

  Compounds of Formula I: or stereoisomers, tautomers, or pharmaceutically acceptable salts, or solvates or prodrugs thereof, where R 1 , R 2 , R a , R b , R c , R d , X, Ring B, and Ring C are as defined herein, and wherein Ring B moiety and the NH—C(═X)—NH moiety are in the trans configuration, are inhibitors of TrkA kinase and are useful in the treatment of diseases which can be treated with a TrkA kinase inhibitor such as pain, cancer, inflammation/inflammatory diseases, neurodegenerative diseases, certain infectious diseases, Sjogren's syndrome, endometriosis, diabetic peripheral neuropathy, prostatitis and pelvic pain syndrome.
• MULTIPLEX SYNTHESIS METHOD OF COMPOUND LIBRARY AND PARALLEL SYNTHESIZER OF COMPOUND LIBRARY USING SAME
  申请人：POSTECH Research and Business Development Foundation

  公开号：US20220219133A1

  公开（公告）日：2022-07-14

  The present invention relates to a parallel synthesis method and synthesizer of a compound library, and more specifically provides a parallel synthesis method and synthesizer of a compound library, which uniformly distribute a first reactant and perform independent reactions in separate spaces, and since it is possible to confirm the results for various reaction variables at once, the synthesis time of the compound library can be reduced with a high synthesis yield of the product.