2-Carboxymethylmercapto-1,3,4-triaza-carbazol | 24838-13-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-Carboxymethylmercapto-1,3,4-triaza-carbazol
• 英文别名: (5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-acetic acid；(2H-[1,2,4]Triazino[5,6-b]indol-3-ylsulfanyl)-acetic acid；2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetic acid
• CAS: 24838-13-9
• 化学式: C₁₁H₈N₄O₂S
• mdl: MFCD00170138
• 分子量: 260.276
• InChiKey: FOTWYBLOBBPUIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-Carboxymethylmercapto-1,3,4-triaza-carbazol 在 吡啶 、 乙酸酐 作用下， 反应 0.25h， 生成 Thiazolo<3,2:2',3'><1,2,4>triazino<5',6'-b>indol-3(2H)-on
  参考文献：
  名称：

  Condensation of 5,7-dimethyl-4a,7a-diphenyl-3-thioxoperhydroimidazo[4,5-e]-1,2,4-triazin-6-one with halogenoacetic acids

  摘要：

  The reaction of 5,7-dimethyl-4a,7a-diphenyl-3-thioxoperhydroimidazo[4,5-e]-1,2,4-triazin-6-one with halogenoacetic acids was studied, and the directed synthesis of {(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e]-1,2,4-triazin-3-yl)thio} acetic acid and 1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e]-1,3-thiazolo[3,2-b]-1,2,4-triazine-2,7(1H,6H)-dione was perfomed for the first time; the structures of title compounds were confirmed by the (1)H-{(13)C} HMBC, (1)H-{(15)N} HSQC, TOCSY, NOESY, HMBC, HSQCED NMR spectroscopy methods and XRD analysis of the tricyclic product.

  DOI：

  10.1016/j.mencom.2010.01.018
• 作为产物：
  描述：

  氯乙酸 、 5H-[1,2,4]噻嗪o[5,6-b]吲哚-3-硫醇 在 potassium hydroxide 作用下， 以 水 为溶剂， 反应 5.0h， 生成 2-Carboxymethylmercapto-1,3,4-triaza-carbazol
  参考文献：
  名称：

  Condensation of 5,7-dimethyl-4a,7a-diphenyl-3-thioxoperhydroimidazo[4,5-e]-1,2,4-triazin-6-one with halogenoacetic acids

  摘要：

  The reaction of 5,7-dimethyl-4a,7a-diphenyl-3-thioxoperhydroimidazo[4,5-e]-1,2,4-triazin-6-one with halogenoacetic acids was studied, and the directed synthesis of {(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e]-1,2,4-triazin-3-yl)thio} acetic acid and 1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e]-1,3-thiazolo[3,2-b]-1,2,4-triazine-2,7(1H,6H)-dione was perfomed for the first time; the structures of title compounds were confirmed by the (1)H-{(13)C} HMBC, (1)H-{(15)N} HSQC, TOCSY, NOESY, HMBC, HSQCED NMR spectroscopy methods and XRD analysis of the tricyclic product.

  DOI：

  10.1016/j.mencom.2010.01.018

文献信息

• Pyrrolidine derivatives-CCR-3 receptor antagonists
  申请人：Syntex (U.S.A.) Inc.

  公开号：US06166015A1

  公开（公告）日：2000-12-26

  This invention relates to certain 3-aminomethylpyrrolidine derivatives of Formula (I): ##STR1## that are CCR-3 receptor antagonists, pharmaceutical compositions containing them, methods for their use and methods for preparing these compounds.

  本发明涉及某些3-氨甲基吡咯烷衍生物，其化学式为（I）：##STR1## 这些化合物是CCR-3受体拮抗剂，包括它们的制药组合物、使用方法和制备这些化合物的方法。
• Dhaka,K.S. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1976, vol. 14, p. 541 - 544
  作者：Dhaka,K.S. et al.

  DOI：——

  日期：——
• PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1131288A1

  公开（公告）日：2001-09-12
• US6166015A
  申请人：——

  公开号：US6166015A

  公开（公告）日：2000-12-26
• [EN] PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR DE DERIVES DE PYRROLIDINE-CCR-3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2000031032A1

  公开（公告）日：2000-06-02

  This invention relates to certain 3-aminomethylpyrrolidine derivatives of Formula (I), wherein: Z is -N- or -(N+r)- X- wherein R is alkyl, haloalkyl, aralkyl, hydroxyalkyl, carboxyalkyl, alkoxycarbonylalkyl, or cyanoalkyl, and X- is a pharmaceutically acceptable counterion; Ar?1 and Ar2¿ are, independently of each other, aryl or heteroaryl; Q is straight or branched alkylene with 1-3 carbon atoms; R1 is hydrogen or alkyl; A is either: (I) -N(R2)C(O)- when: B is: (i) an alkylene with 1-4 carbon atoms inclusive wherein one of the carbon atoms may optionally be replaced by a group selected from -C(O)-, -N(R4)-, -O-, -S(O)¿n?- (where n is 0, 1 or 2), -NR?5¿C(O)- and -N(R6)SO2-; or (ii) an alkynylene chain; or (II) a group selected from -N(R2)C(S)-, -N(R2)C(O)N(R3)-, -N(R2)C(S)N(R3)-, -N(R2)SO2-, -N(R2)SO2N(R3)-, -N(R2)C(O)O-, and -OC(O)N(R3)- when: B is: (i) a bond; (ii) an alkylene chain of 1-4 carbon atoms inclusive wherein one of the carbon atoms may optionally be replaced by a group selected from -C(O)-, -N(R4)-, -O-, -S(O)¿n?- (where n is 0, 1 or 2), -NR?5¿C(O)- and -N(R6)SO2-; (iii) an alkenylene chain; or (iv) an alkynylene chain; that are CCR-3 receptor antagonists, pharmaceutical compositions containing them, methods for their use and methods for preparing these compounds.