2-溴-5-氯烟 | 1214324-95-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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
• 中文名称: 2-溴-5-氯烟
• 英文名称: methyl 2-bromo-5-chloronicotinate
• 英文别名: methyl 2-bromo-5-chloropyridine-3-carboxylate
• CAS: 1214324-95-4
• 化学式: C₇H₅BrClNO₂
• 分子量: 250.479
• InChiKey: JAPJUTZFHULGFG-UHFFFAOYSA-N

物化性质

• 熔点：
  36 - 38°C
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-溴-5-氯烟 在 bis-triphenylphosphine-palladium(II) chloride 、 一水合肼 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 17.5h， 生成 3-chloro-8-methylpyrido[2,3-d]pyridazin-5(6H)-one
  参考文献：
  名称：

  [EN] NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS
  [FR] NOUVEAUX DÉRIVÉS BICYCLIQUES HÉTÉROARYLES UTILISÉS EN TANT QU'INHIBITEURS DE L'INTERACTION PROTÉINE-PROTÉINE SOS1 : KRAS

  摘要：

  The present invention relates to novel compounds of formula (I) which are inhibitors of SOS1:KRAS interaction, their pharmaceutically acceptable esters, salts, solvates, isomers thereof. The present invention specifically relates to novel compounds of formula (I) or a pharmaceutically acceptable salt or a pharmaceutically acceptable regioisomer thereof and processes for their preparation.

  公开号：

  WO2023067546A1
• 作为产物：
  描述：

  2-氨基-5-氯烟酸甲酯 在 亚硝酸特丁酯 、 四丁基溴化铵 、 copper(I) bromide 作用下， 以19 %的产率得到2-溴-5-氯烟
  参考文献：
  名称：

  [EN] NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS
  [FR] NOUVEAUX DÉRIVÉS BICYCLIQUES HÉTÉROARYLES UTILISÉS EN TANT QU'INHIBITEURS DE L'INTERACTION PROTÉINE-PROTÉINE SOS1 : KRAS

  摘要：

  The present invention relates to novel compounds of formula (I) which are inhibitors of SOS1:KRAS interaction, their pharmaceutically acceptable esters, salts, solvates, isomers thereof. The present invention specifically relates to novel compounds of formula (I) or a pharmaceutically acceptable salt or a pharmaceutically acceptable regioisomer thereof and processes for their preparation.

  公开号：

  WO2023067546A1

文献信息

• SULFONAMIDE COMPOUND OR SALT THEREOF
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP3466934A1

  公开（公告）日：2019-04-10

  The present invention provides a novel sulfonamide compound having a ribonucleotide reductase inhibitory activity or a salt thereof, and a pharmaceutical composition containing the same as an active ingredient. A compound represented by Formula (I) [wherein, X1 represents an oxygen atom or the like; X2 represents an oxygen atom; X3 represents -NH-; X4 represents a hydrogen atom or the like; R1 represents -C(R11)(R12)- or the like; R11 and R12 are the same or different and each represents a hydrogen atom or the like; R2 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R3 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R4 represents a hydrogen atom or the like] or a salt thereof.

  本发明提供了一种具有核糖核苷酸还原酶抑制活性的新型磺酰胺化合物或其盐，以及含有该化合物作为活性成分的药物组合物。 由式(I)代表的化合物[其中，X1代表氧原子或类似物；X2代表氧原子；X3代表-NH-；X4代表氢原子或类似物；R1代表-C(R11)(R12)-或类似物；R11和R12相同或不同且各自代表氢原子或类似物；R2代表任选取代的C6-C14芳烃基团或类似物；R3代表任选取代的C6-C14芳烃基团或类似物；R4代表氢原子或类似物]或其盐。
• ANTITUMOR AGENT
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP3718545A1

  公开（公告）日：2020-10-07

  The present invention provides a method of enhancing an antitumor effect by a compound strongly inhibiting ribonucleotide reductase (RNR) or a salt thereof. A combination formulation involving combined administration of a sulfonamide compound represented by Formula (I) [In the formula, X1 represents an oxygen atom or the like; X2 represents an oxygen atom; X3 represents -NH-; X4 represents a hydrogen atom or the like; R1 represents -C(R11) (R12)- or the like; R11 and R12 are the same or different and each represents a hydrogen atom or the like; R2 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R3 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R4 represents a hydrogen atom or the like] or a salt thereof, having RNR inhibitory activity, and other antitumor agent(s).

  本发明提供了一种通过强抑制核糖核苷酸还原酶（RNR）的化合物或其盐增强抗肿瘤效果的方法。 一种组合制剂涉及联合给药由式(I)代表的磺酰胺化合物[式中，X1代表氧原子或类似物；X2代表氧原子；X3代表-NH-；X4代表氢原子或类似物；R1代表-C(R11)(R12)-或类似物；R11和R12相同或不同，各自代表氢原子或类似物；R2代表任选取代的C6-C14芳烃基团或类似物；R3代表任选取代的C6-C14芳烃基团或类似物；R4代表氢原子或类似物]或其盐，具有RNR抑制活性，以及其他抗肿瘤剂。
• Sulfonamide compound or salt thereof
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：US10889555B2

  公开（公告）日：2021-01-12

  The present invention provides a novel sulfonamide compound having a ribonucleotide reductase inhibitory activity or a salt thereof, and a pharmaceutical composition containing the same as an active ingredient. A compound represented by Formula (I) [wherein, X1 represents an oxygen atom or the like; X2 represents an oxygen atom; X3 represents —NH—; X4 represents a hydrogen atom or the like; R1 represents —C(R11)(R12)— or the like; R11 and R12 are the same or different and each represents a hydrogen atom or the like; R2 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R3 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R4 represents a hydrogen atom or the like] or a salt thereof.

  本发明提供了一种具有核糖核苷酸还原酶抑制活性的新型磺酰胺化合物或其盐，以及含有该化合物作为活性成分的药物组合物。 由式(I)代表的化合物[其中，X1代表氧原子或类似物；X2代表氧原子；X3代表-NH-；X4代表氢原子或类似物；R1代表-C(R11)(R12)-或类似物；R11和R12相同或不同且各自代表氢原子或类似物；R2代表任选取代的C6-C14芳烃基团或类似物；R3代表任选取代的C6-C14芳烃基团或类似物；R4代表氢原子或类似物]或其盐。
• Sulfonamide Compound or Salt Thereof
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：US20200157066A1

  公开（公告）日：2020-05-21

  The present invention provides a novel sulfonamide compound having a ribonucleotide reductase inhibitory activity or a salt thereof, and a pharmaceutical composition containing the same as an active ingredient. A compound represented by Formula (I) [wherein, X 1 represents an oxygen atom or the like; X 2 represents an oxygen atom; X 3 represents —NH—; X 4 represents a hydrogen atom or the like; R 1 represents —C(R 11 )(R 12 )— or the like; R 11 and R 12 are the same or different and each represents a hydrogen atom or the like; R 2 represents an optionally substituted C 6 -C 14 aromatic hydrocarbon group or the like; R 3 represents an optionally substituted C 6 -C 14 aromatic hydrocarbon group or the like; R 4 represents a hydrogen atom or the like] or a salt thereof.
• Antitumor Agent
  申请人：Taiho Pharmaceutical Co., Ltd

  公开号：US20200405697A1

  公开（公告）日：2020-12-31

  The present invention provides a method of enhancing an antitumor effect by a compound strongly inhibiting ribonucleotide reductase (RNR) or a salt thereof. A combination formulation involving combined administration of a sulfonamide compound represented by Formula (I) [In the formula, X 1 represents an oxygen atom or the like; X 2 represents an oxygen atom; X 3 represents —NH—; X 4 represents a hydrogen atom or the like; R 1 represents —C(R 11 ) (R 12 )— or the like; R 11 and R 12 are the same or different and each represents a hydrogen atom or the like; R 2 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R 3 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R 4 represents a hydrogen atom or the like] or a salt thereof, having RNR inhibitory activity, and other antitumor agent(s).