6-氯异喹啉-3-胺 | 1204701-64-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 6-氯异喹啉-3-胺
• 英文名称: 6-chloroisoquinolin-3-amine
• CAS: 1204701-64-3
• 化学式: C₉H₇ClN₂
• 分子量: 178.621
• InChiKey: DNUVOMZZYSNDSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  6-氯异喹啉-3-胺 在 硫酸 、 sodium nitrite 作用下， 生成 6-chloro-4-nitroisoquinolin-3-amine
  参考文献：
  名称：

  [EN] 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES
  [FR] DÉRIVÉS D'AMINOISOQUINOLÉINE SUBSTITUÉS EN POSITION 4

  摘要：

  这项发明涉及4-取代异喹啉化合物及其衍生物，以及它们在癌症治疗中的用途，例如急性髓细胞白血病。

  公开号：

  WO2018035072A1

文献信息

• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSÉS PHARMACEUTIQUES
  申请人：SENTINEL ONCOLOGY LTD

  公开号：WO2010007374A1

  公开（公告）日：2010-01-21

  The invention provides kinase inhibitor compounds of the formula (1): or salts, solvates, tautomers or N-oxides thereof; wherein X is O, CO, X1C(X2), C(X2)X1, X1C(X2)X1, S, SO, SO2, NRc, SO2NRC or NRcSO2; m is 0-2; n is 0-1; q is 0-2; A is C1-6 alkylene optionally interrupted by O; R1 is halogen, cyano, nitro, an optionally substituted acyclic C1-6 hydrocarbon group, optionally substituted C3-7 cycloalkyl, optionally substituted phenyl, optionally substituted five membered heteroaryl, NR2R3, Ra-Rb, O-Rb or C(O)NR2R8; R4 is fluorine, chlorine, methyl or cyano; R2 is hydrogen or optionally substituted C1-4 alkyl; R3 is Ra-Rb; or NR2R3 forms a 4 to 7 membered non-aromatic heterocyclic ring; Ra is a bond, C(X2), C(X2)X1, SO, SO2 or SO2NRc; Rb is hydrogen or an optionally substituted 3 to 7- membered carbocyclic or heterocyclic ring or an optionally substituted C1-12 acyclic hydrocarbon group; Rc is hydrogen or a C1-4 hydrocarbon group; Rd is O, CO, X1C(X2), C(X2)X1, X1C(X2)X1, S, SO, SO2, NRC, SO2NRc or NRcSO2; X1 is O, S or NRc; X2 is =0, =S or =NRc; but excluding the compound wherein m, n and q are all O, A is CH2 and NR2R3 is a 2-phenylmorpholin-4-yl group.

  这项发明提供了化合物的激酶抑制剂的结构式（1）或其盐、溶剂合物、互变异构体或N-氧化物；其中X为O、CO、X1C（X2）、C（X2）X1、X1C（X2）X1、S、SO、SO2、NRc、SO2NRC或NRcSO2；m为0-2；n为0-1；q为0-2；A为C1-6烷基，可选地由O中断；R1为卤素、氰基、硝基、可选地取代的非环状C1-6烃基、可选地取代的C3-7环烷基、可选地取代的苯基、可选地取代的五元杂环烃基、NR2R3、Ra-Rb、O-Rb或C（O）NR2R8；R4为氟、氯、甲基或氰基；R2为氢或可选地取代的C1-4烷基；R3为Ra-Rb；或NR2R3形成4至7成员非芳杂环烃环；Ra为键、C（X2）、C（X2）X1、SO、SO2或SO2NRc；Rb为氢或可选地取代的3至7成员的碳环或杂环环或可选地取代的C1-12非环烃基；Rc为氢或C1-4烃基；Rd为O、CO、X1C（X2）、C（X2）X1、X1C（X2）X1、S、SO、SO2、NRC、SO2NRc或NRcSO2；X1为O、S或NRc；X2为=0、=S或=NRc；但不包括当m、n和q都为O，A为CH2，NR2R3为2-苯基吗啡啉-4-基团的化合物。
• PHARMACEUTICAL COMPOUNDS
  申请人：Boyle Robert George

  公开号：US20110130394A1

  公开（公告）日：2011-06-02

  The invention provides kinase inhibitor compounds of the formula (1): or salts, solvates, tautomers or N-oxides thereof; wherein X is O, CO, X 1 C(X 2 ), C(X 2 )X 1 , X 1 C(X 2 )X 1 , S, SO, SO 2 , NR c , SO 2 NR c or NR c SO 2 ; m is 0-2; n is 0-1; q is 0-2; A is C 1-6 alkylene optionally interrupted by O; R 1 is halogen, cyano, nitro, an optionally substituted acyclic C 1-6 hydrocarbon group, optionally substituted C 3-7 cycloalkyl, optionally substituted phenyl, optionally substituted five membered heteroaryl, NR 2 R 3 , R a —R b , O—R b or C(O)NR 2 R 8 ; R 4 is fluorine, chlorine, methyl or cyano; R 2 is hydrogen or optionally substituted C 1-4 alkyl; R 3 is R a —R b ; or NR 2 R 3 forms a 4 to 7 membered non-aromatic heterocyclic ring; R a is a bond, C(X 2 ), C(X 2 )X 1 , SO, SO 2 or SO 2 NR c ; R b is hydrogen or an optionally substituted 3 to 7-membered carbocyclic or heterocyclic ring or an optionally substituted C 1-12 acyclic hydrocarbon group; R c is hydrogen or a C 1-4 hydrocarbon group; R d is O, CO, X 1 C(X 2 ), C(X 2 )X 1 , X 1 C(X 2 )X 1 , S, SO, SO 2 , NR c , SO 2 NR c or NR c SO 2 ; X 1 is O, S or NR c ; X 2 is ═O, ═S or ═NR c ; but excluding the compound wherein m, n and q are all 0, A is CH 2 and NR 2 R 3 is a 2-phenylmorpholin-4-yl group.

  本发明提供了式（1）的激酶抑制剂化合物或其盐，溶剂化合物，互变异构体或N-氧化物; 其中，X为O，CO，X1C（X2），C（X2）X1，X1C（X2）X1，S，SO，SO2，NRc，SO2NRc或NRcSO2; m为0-2; n为0-1; q为0-2; A为C1-6的烷基，可选地由O中断; R1为卤素，氰基，硝基，可选地取代的非环状C1-6碳氢基，可选地取代的C3-7环烷基，可选地取代的苯基，可选地取代的五元杂环芳基，NR2R3，Ra-Rb，O-Rb或C（O）NR2R8; R4为氟，氯，甲基或氰基; R2为氢或可选地取代的C1-4烷基; R3为Ra-Rb; 或NR2R3形成4至7个成员的非芳香杂环环; Ra为键，C（X2），C（X2）X1，SO，SO2或SO2NRc; Rb为氢或可选地取代的3至7个成员的碳氢或杂环环或可选地取代的C1-12的非环状碳氢基; Rc为氢或C1-4碳氢基; Rd为O，CO，X1C（X2），C（X2）X1，X1C（X2）X1，S，SO，SO2，NRc，SO2NRc或NRcSO2; X1为O，S或NRc; X2为═O，═S或═NRc; 但不包括当m，n和q都为0，A为CH2且NR2R3为2-苯基吗啡啶-4-基团的化合物。
• 4-substituted aminoisoquinoline derivatives
  申请人：Purdue Research Foundation

  公开号：US11001559B2

  公开（公告）日：2021-05-11

  This invention relates to 4-substituted isoquinoline compounds and their derivatives and uses thereof for treatment of cancer, for example, acute myeloid leukemia.

  本发明涉及 4-取代异喹啉化合物及其衍生物，以及它们在治疗癌症（例如急性髓性白血病）方面的用途。
• Identification of New FLT3 Inhibitors That Potently Inhibit AML Cell Lines via an Azo Click-It/Staple-It Approach
  作者：Xiaochu Ma、Jie Zhou、Changhao Wang、Brandon Carter-Cooper、Fan Yang、Elizabeth Larocque、Jonathan Fine、Genichiro Tsuji、Gaurav Chopra、Rena G. Lapidus、Herman O. Sintim

  DOI：10.1021/acsmedchemlett.6b00468

  日期：2017.5.11

  Acute myeloid leukemia (AML) is an aggressive malignancy with only a handful of therapeutic options. About 30% of AML patients harbor mutated FLT3 kinase, and thus, this cancer-driver has become a hotly pursued AML target. Herein we report a new class of FLT3 inhibitors, which potently inhibit the proliferation of acute myeloid leukemia (AML) cells at nanomolar concentrations.
• 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES
  申请人：Purdue Research Foundation

  公开号：EP3496717A1

  公开（公告）日：2019-06-19