{2-chloro-6-methyl-4-[3-(3-{[4-(methylox)phenyl]methyl}-2-oxo-1-imiazolidinyl)-1H-pyrazol-1-yl]-3-pyridinyl}acetaldehyde | 785834-41-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: {2-chloro-6-methyl-4-[3-(3-{[4-(methylox)phenyl]methyl}-2-oxo-1-imiazolidinyl)-1H-pyrazol-1-yl]-3-pyridinyl}acetaldehyde
• 英文别名: 2-[2-Chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methylpyridin-3-yl]acetaldehyde；2-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methylpyridin-3-yl]acetaldehyde
• CAS: 785834-41-5
• 化学式: C₂₂H₂₂ClN₅O₃
• 分子量: 439.901
• InChiKey: NTQXDMRLRAAUFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  80.6
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Condensed n-heterocyclic compounds and their use as crf receptor antagonists
  申请人：St-Denis Yves

  公开号：US20070021429A1

  公开（公告）日：2007-01-25

  The present invention provides compounds of formula (I) including stereoisomers, prodrugs and pharmaceutically acceptable salts or solvates thereof (Formula (I)) wherein the dashed line may represent a double bond; R is aryl or heteroaryl, each of which may be substituted by 1 to 4 groups J selected from: halogen, C1-C6 alkyl, C1-C6 alkoxy, halo C1-C6 alkyl, C2-C6 .alkenyl, ,C2-C6 alkynyl, halo C1=C6 alkoxy, =C(O)RZ, nitro, hydroxy, =NR3R4i cyano, and or a group Z; R, is hydrogen, C3-C7 cycloalkyl, C1-C6 alkyl, C1-C6 alkoxy, C1-C6 thioalkyl, C2-C6 alkenyl, C2-C6 alkynyl, halo C1-C6 alkyl, halo C1-C6 alkoxy, halogen, NR 3 R 4 or cyano; D, G R is —C— optionally substituted; A is —C— optionally substituted; X is carbon or nitrogen; Y is nitrogen or —C— optionally substituted; W is a 4-8 carbocyclic membered ring, which may be saturated or may contain one to three double bonds, and inwhich: —one carbon atom is replaced by a carbonyl or S(O) m ; and —one to four carbon atoms may optionally be replaced by oxygen, nitrogen or NR 14 , S(O) m , carbonyl, and such ring may be further substituted by I to 8 substituents; Z is a 5-6 membered heterocycle or a phenyl, which may be substituted by I to 8 substituents; m is an integer from 0 to 2, to processes for their preparation, to pharmaceutical compositions containing them and to their use in the treatment of conditions mediated by corticotropin-releasing factor (CRF).

  本发明提供了式(I)的化合物，包括立体异构体、前药和其药学上可接受的盐或溶剂化物（式(I)）其中虚线可以表示双键; R是芳基或杂环芳基，每个都可以被1到4个J基团取代，所选基团包括：卤素、C1-C6烷基、C1-C6烷氧基、卤代C1-C6烷基、C2-C6烯基、C2-C6炔基、卤代C1=C6烷氧基、=C(O)RZ、硝基、羟基、=NR3R4i氰基或Z基；R'是氢、C3-C7环烷基、C1-C6烷基、C1-C6烷氧基、C1-C6硫代烷基、C2-C6烯基、C2-C6炔基、卤代C1-C6烷基、卤代C1-C6烷氧基、卤素、NR3R4或氰基；D、G和R是—C—可选取代；A是—C—可选取代；X是碳或氮；Y是氮或—C—可选取代；W是4-8个碳环状成员环，可以饱和或含有1至3个双键，其中：—一个碳原子被羰基或S(O)m取代；—1至4个碳原子可以选择性地被氧、氮或NR14、S(O)m、羰基取代，此环可以进一步被1至8个取代基团取代；Z是5-6个成员的杂环或苯基，可以被1至8个取代基团取代；m是从0到2的整数，以及其制备过程、含有它们的制药组合物以及它们在治疗通过促肾上腺皮质激素释放因子（CRF）介导的疾病中的应用。
• Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists
  申请人：Andreotti Daniele

  公开号：US20110172255A1

  公开（公告）日：2011-07-14

  The present invention provides compounds of formula (I), processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of conditions mediated by corticotropin-releasing factor (CRF).

  本发明提供了式（I）的化合物，以及制备它们的方法，包含它们的制药组合物和它们在治疗由促肾上腺皮质激素释放因子（CRF）介导的疾病中的应用。
• Condensed N-heterocyclic compounds and their use as CRF receptor antagonists
  申请人：SmithKline Beecham (Cork) Limited

  公开号：EP2186813A1

  公开（公告）日：2010-05-19

  The present invention provides compounds of formula (V) including stereoisomers, prodrugs and pharmaceutically acceptable salts or solvates thereof wherein R is aryl or heteroaryl, each of which may be substituted by 1 to 4 groups J selected from: halogen, C1-C6 alkyl, C1-C6 alkoxy, halo C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, halo C1-C6 alkoxy, -C(O)R2, nitro, hydroxy, -NR3R4, cyano, and a group Z; R1 is hydrogen, C3-C7 cycloalkyl, C1-C6 alkyl, C1-C6 alkoxy, C1-C6 thioalkyl, C2-C6 alkenyl, C2-C6 alkynyl, halo C1-C6 alkyl, halo C1-C6 alkoxy, halogen, NR3R4 or cyano; R2 is a C1-C4 alkyl, -OR3 or -NR3R4; R3 is hydrogen or C1-C6 alkyl; R4 is hydrogen or C1-C6 alkyl; R5 is a C1-C6 alkyl, halo C1-C6 alkyl, C1-C6 alkoxy, halo C1-C6 alkoxy, C3-C7 cycloalkyl, hydroxy, halogen, nitro, cyano, -NR3R4, or -C(O)R2; R6 is a C1-C6 alkyl, halo C1-C6 alkyl, C1-C6 alkoxy, halo C1-C6 alkoxy, C3-C7 cycloalkyl, hydroxy, halogen, nitro, cyano, -NR3R4, or -C(O)R2; R7 is hydrogen, C1-C6 alkyl, halogen or halo C1-C6 alkyl; R8 is hydrogen, C3-C7 cycloalkyl, C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, NR3R4 or cyano; Rg is hydrogen, C3-C7 cycloalkyl, C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, NR3R4 or cyano; R10 is hydrogen, C3-C7 cycloalkyl, C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, NR3R4 or cyano; R11 is hydrogen, C3-C7 cycloalkyl, C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, NR3R4 or cyano; R12 is R3 or -C(O)R2; D is CR8R9 or is CR8 when double bonded with G; G is CR10R11 or is CR10 when double bonded with D; Z is a 5-6 membered heterocycle, which may be substituted by 1 to 8 R5 groups; or a phenyl ring, which may be substituted by 1 to 4 R5 groups; m is an integer from 0 to 2; and q is an integer from 0 to 4; Y is nitrogen or -CR7; to processes for their preparation, to pharmaceutical compositions containing them and to their use in the treatment of conditions mediated by corticotropin-releasing factor (CRF).

  本发明提供了式 (V) 化合物，包括其立体异构体、原药和药学上可接受的盐或溶液 其中 R 是芳基或杂芳基，其中每个芳基或杂芳基可被 1 至 4 个基团 J 取代，这些基团选自 卤素、C1-C6 烷基、C1-C6 烷氧基、卤代 C1-C6 烷基、C2-C6 烯基、C2-C6 炔基、卤代 C1-C6 烷氧基、-C(O)R2、硝基、羟基、-NR3R4、氰基和基团 Z； R1 是氢、C3-C7 环烷基、C1-C6 烷基、C1-C6 烷氧基、C1-C6 硫代烷基、C2-C6 烯基、C2-C6 炔基、卤代 C1-C6 烷基、卤代 C1-C6 烷氧基、卤素、NR3R4 或氰基； R2 是 C1-C4 烷基、-OR3 或 -NR3R4； R3 是氢或 C1-C6 烷基； R4 是氢或 C1-C6 烷基； R5 是 C1-C6 烷基、卤代 C1-C6 烷基、C1-C6 烷氧基、卤代 C1-C6 烷氧基、C3-C7 环烷基、羟基、卤素、硝基、氰基、-NR3R4 或 -C(O)R2； R6 是 C1-C6 烷基、卤代 C1-C6 烷基、C1-C6 烷氧基、卤代 C1-C6 烷氧基、C3-C7 环烷基、羟基、卤素、硝基、氰基、-NR3R4 或 -C(O)R2； R7 是氢、C1-C6 烷基、卤素或卤代 C1-C6 烷基； R8 是氢、C3-C7 环烷基、C1-C6 烷基、C2-C6 烯基、C2-C6 炔基、NR3R4 或氰基； Rg 是氢、C3-C7 环烷基、C1-C6 烷基、C2-C6 烯基、C2-C6 炔基、NR3R4 或氰基； R10 是氢、C3-C7 环烷基、C1-C6 烷基、C2-C6 烯基、C2-C6 炔基、NR3R4 或氰基； R11 是氢、C3-C7 环烷基、C1-C6 烷基、C2-C6 烯基、C2-C6 炔基、NR3R4 或氰基； R12 是 R3 或-C(O)R2； D 是 CR8R9 或与 G 双键结合时是 CR8； G 是 CR10R11，或与 D 双键合时是 CR10； Z 是可被 1 至 8 个 R5 基团取代的 5-6 位杂环；或可被 1 至 4 个 R5 基团取代的苯基环； m 是 0 至 2 的整数；以及 q 是 0 至 4 的整数； Y 是氮或-CR7； 它们的制备工艺，含有它们的药物组合物，以及它们在治疗由促肾上腺皮质激素释放因子（CRF）介导的疾病中的用途。
• CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS
  申请人：SmithKline Beecham (Cork) Limited

  公开号：EP1618107B1

  公开（公告）日：2010-06-30
• US7427630B2
  申请人：——

  公开号：US7427630B2

  公开（公告）日：2008-09-23