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氯雷他定杂质14 | 169253-13-8

中文名称
氯雷他定杂质14
中文别名
——
英文名称
8-CHLORO-11-(1-ETHOXYCARBONYL-4-PIPERIDINYL)-11H-BENZO[5,6]CYCLOHEPTA(1,2-b)PYRIDINE
英文别名
8-chloro-11-(1-ethoxy-carbonyl-4-piperidinyl)-11H-benzo[5,6]cyclohepta[1,2-b]pyridine;8-chloro-11-(1-ethoxycarbonyl-4-piperidinyl)-11H-benzo[5,6]cyclohepta[1,2-b]pyridine;8-chloro-11-(1-ethoxycarbonyl-4-piperidinyl)-11H-benzo[5.6]cyclohepta[1.2-b]pyridine;ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl)piperidine-1-carboxylate
氯雷他定杂质14化学式
CAS
169253-13-8
化学式
C22H23ClN2O2
mdl
——
分子量
382.89
InChiKey
NHLYOAHHECPKBH-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    4.7
  • 重原子数:
    27
  • 可旋转键数:
    3
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.36
  • 拓扑面积:
    42.4
  • 氢给体数:
    0
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Potent, Selective, and Orally Bioavailable Tricyclic Pyridyl Acetamide N-Oxide Inhibitors of Farnesyl Protein Transferase with Enhanced in Vivo Antitumor Activity
    摘要:
    We previously reported compound 1 as a potent farnesyl protein transferase (FPT) inhibitor that exhibited reasonable pharmacokinetic stability and showed moderate in vivo activity against a variety of tumor cell lines. The analogous C-11 single compound, pyridylacetamide 2, was found to be more potent than 1 in FPT inhibition. Further studies showed that modification of the ethano bridge of the tricyclic ring system by conversion into a double bond with concomitant introduction of a single bond at C-11 piperidine resulted in compound 3 that had superior FPT activity and pharmacokinetic stability. Compound 4, a 5-bromo-substituted analogue of 3, showed improved FPT activity, had good cellular activity, and demonstrated a remarkably improved pharmacokinetic profile with AUC of 84.9 and t(1/2) of 82 min. Compound 4 inhibited the growth of solid tumor in DLD-1 model by 70% at 50 mpk and 52% at 10 mpk.
    DOI:
    10.1021/jm980013b
  • 作为产物:
    描述:
    地氯雷他定三氟甲磺酸三乙胺 作用下, 以 甲苯 为溶剂, 反应 84.0h, 生成 氯雷他定杂质14
    参考文献:
    名称:
    Potent, Selective, and Orally Bioavailable Tricyclic Pyridyl Acetamide N-Oxide Inhibitors of Farnesyl Protein Transferase with Enhanced in Vivo Antitumor Activity
    摘要:
    We previously reported compound 1 as a potent farnesyl protein transferase (FPT) inhibitor that exhibited reasonable pharmacokinetic stability and showed moderate in vivo activity against a variety of tumor cell lines. The analogous C-11 single compound, pyridylacetamide 2, was found to be more potent than 1 in FPT inhibition. Further studies showed that modification of the ethano bridge of the tricyclic ring system by conversion into a double bond with concomitant introduction of a single bond at C-11 piperidine resulted in compound 3 that had superior FPT activity and pharmacokinetic stability. Compound 4, a 5-bromo-substituted analogue of 3, showed improved FPT activity, had good cellular activity, and demonstrated a remarkably improved pharmacokinetic profile with AUC of 84.9 and t(1/2) of 82 min. Compound 4 inhibited the growth of solid tumor in DLD-1 model by 70% at 50 mpk and 52% at 10 mpk.
    DOI:
    10.1021/jm980013b
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文献信息

  • Tricyclic amide and urea compounds useful for inhibition of G-protein
    申请人:Schering Corporation
    公开号:US05700806A1
    公开(公告)日:1997-12-23
    Novel compounds of Formula (7.0a), (7.0b) or (7.0c): ##STR1## are disclosed. Also disclosed is a method of inhibiting Ras function and therefore inhibiting the abnormal growth of cells. The method comprises administering a compound of the formula (7.0a), (7.0b) or (7.0c) to a biological system. In particular, the method inhibits the abnormal growth of cells in a mammal such as a human being.
    揭示了化合物的新颖结构,其化学式为(7.0a)、(7.0b)或(7.0c):##STR1##。还揭示了一种抑制Ras功能从而抑制细胞异常生长的方法。该方法包括向生物系统施用化合物的化学式(7.0a)、(7.0b)或(7.0c)。具体而言,该方法抑制了哺乳动物(如人类)中细胞的异常生长。
  • Novel farnesyl protein transferase inhibitors as antitumor agents
    申请人:Schering Corporation
    公开号:US20040122018A1
    公开(公告)日:2004-06-24
    Disclosed are novel tricyclic compounds represented by the formula (1.0): 1 and a pharmaceutically acceptable salt or solvate thereof. The compounds are useful for inhibiting farnesyl protein transferase. Also disclosed are pharmaceutical compositions comprising compounds of formula 1.0. Also disclosed are methods of treating cancer using the compounds of formula 1.0.
    揭示了由式(1.0)表示的新型三环化合物: 1 及其药学上可接受的盐或溶剂。这些化合物对于抑制法尼西基蛋白转移酶是有用的。还揭示了包括式1.0化合物的药物组合物。还揭示了使用式1.0化合物治疗癌症的方法。
  • Tricyclic carbamate compounds useful for inhibition of G-protein
    申请人:Schering Corporation
    公开号:US06075025A1
    公开(公告)日:2000-06-13
    A method of inhibiting Ras function and therefore inhibiting cellular growth is disclosed. The method comprises the administration of a compound of Formula 1.0 ##STR1## Also disclosed are novel compounds of the formulas: ##STR2## Also disclosed are processes for making 3-substituted compounds of the Formulas 1.1, 1.2 and 1.3. Further disclosed are novel compounds which are intermediates in the processes for making the 3-substituted compounds of Formulas 1.1, 1.2, and 1.3.
    揭示了一种抑制Ras功能从而抑制细胞生长的方法。该方法包括给予Formula 1.0的化合物。还揭示了以下公式的新化合物:还揭示了制备公式1.1、1.2和1.3的3-取代化合物的方法。进一步揭示了在制备公式1.1、1.2和1.3的3-取代化合物的过程中的新化合物。
  • Tricyclic amide and urea compounds useful for inhibition of g-protein
    申请人:Schering Corporation
    公开号:US05719148A1
    公开(公告)日:1998-02-17
    A method of inhibiting Ras function and therefore inhibiting the abnormal growth of cells is disclosed. The method comprises the administration of a compound of Formula 1.0: ##STR1## to a biological system. In particular, the method inhibits the abnormal growth of cells in a mammal such as a human being. Novel compounds of formulas 5.0, 5.1 and 5.2, wherein R is --C(R.sup.20)(R.sup.21)(R.sup.46), and 5.3, 5.3A and 5.3B, wherein R is --N(R.sup.25)(R.sup.48), are disclosed. Also disclosed are processes for making 3-substituted compounds of Formulas 5.0, 5.1, 5.2 and 5.3. Further disclosed are novel compounds which are intermediates in the process for making 3-substituted compounds of Formulas 5.0, 5.1, 5.2 and 5.3.
    抑制Ras功能从而抑制细胞异常生长的方法已被披露。该方法包括向生物系统中施用Formula 1.0的化合物:##STR1##。具体来说,该方法抑制了哺乳动物(如人类)中细胞的异常生长。还披露了Formula 5.0、5.1和5.2的新化合物,其中R为--C(R.sup.20)(R.sup.21)(R.sup.46),以及Formula 5.3、5.3A和5.3B,其中R为--N(R.sup.25)(R.sup.48)。还披露了制备Formula 5.0、5.1、5.2和5.3的3-取代化合物的方法。此外,还披露了在制备Formula 5.0、5.1、5.2和5.3的3-取代化合物过程中的中间体新化合物。
  • Compounds useful for inhibition of farnesyl protein transferase
    申请人:——
    公开号:US20010014681A1
    公开(公告)日:2001-08-16
    Novel compounds of the formula: 1 are disclosed. In Formula 1.0 a represents N or NO, R 1 and R 3 are halo, R 2 and R 4 are independently H or halo provided that at least one is H, X is C, CH or N, and T represents a five or six membered heterocycloalkyl ring having one or two heteroatoms selected from S or O. Also disclosed are methods of inhibiting farnesyl protein transferase and methods for treating tumor cells.
    公开了式子1的新化合物。在式子1中,a代表N或NO,R1和R3为卤素,R2和R4分别为H或卤素,但至少有一个为H,X为C,CH或N,T代表一个含有从S或O中选择的一个或两个杂原子的五元或六元杂环烷基环。还公开了抑制法尼酰丝氨酸蛋白转移酶的方法和治疗肿瘤细胞的方法。
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