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N-甲基环丙烷胺草酸盐 | 24571-78-6

中文名称
N-甲基环丙烷胺草酸盐
中文别名
——
英文名称
N-methylcyclopropanamine oxalic acid
英文别名
N-methylcyclopropanamine oxalate;N-methylcyclopropanamine;oxalic acid
N-甲基环丙烷胺草酸盐化学式
CAS
24571-78-6
化学式
C2H2O4*C4H9N
mdl
——
分子量
161.158
InChiKey
QQUGCKHFFUHNHV-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):
    -0.48
  • 重原子数:
    11
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.67
  • 拓扑面积:
    86.6
  • 氢给体数:
    3
  • 氢受体数:
    5

反应信息

  • 作为反应物:
    描述:
    N-甲基环丙烷胺草酸盐磺酰胺三乙胺 作用下, 以 1,4-二氧六环 为溶剂, 反应 16.0h, 以22%的产率得到[methyl(sulfamoyl)amino]cyclopropane
    参考文献:
    名称:
    [EN] NEW QUINAZOLINONE DERIVATIVES
    [FR] NOUVEAUX DÉRIVÉS DE QUINAZOLINONE
    摘要:
    本发明涉及一种式(I)的化合物,其中A、L、R1、R2、R3和R4在说明书和权利要求书中定义。式(I)的化合物可用作药物。
    公开号:
    WO2022129259A1
  • 作为产物:
    描述:
    参考文献:
    名称:
    GROTJAHN, D. B., J. HETEROCYCL. CHEM., 1983, 20, N 4, 1031-1036
    摘要:
    DOI:
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文献信息

  • NITROGEN CONTAINING HETEROARYL COMPOUNDS
    申请人:Bleicher Konrad
    公开号:US20110306589A1
    公开(公告)日:2011-12-15
    The invention is concerned with novel nitrogen-containing heteroaryl compounds of formula (I) wherein A 1 , A 2 , R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used as therapeutics.
    这项发明涉及一种新颖的含氮杂环芳基化合物,其化学式为(I),其中A1、A2、R1、R2、R3、R4、R5和R6如描述和索赔中所定义,并且其生理上可接受的盐和酯。这些化合物抑制PDE10A并可用作治疗药物。
  • [EN] FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF<br/>[FR] MODULATEURS HÉTÉROARYLE CONDENSÉS, DE L'ACTIVITÉ AP-1 ET/OU NF-?B DU RÉCEPTEUR DES GLUCOCORTICOÏDES ET LEUR UTILISATION
    申请人:BRISTOL MYERS SQUIBB CO
    公开号:WO2009100171A1
    公开(公告)日:2009-08-13
    Novel non-steroidal compounds are provided which are useful in treating diseases or disorders associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including metabolic and inflammatory and immune diseases or disorders, having the structure of formula (I): an enantiomer, diastereomer, or taυtomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; • A is a S- to 8- membered carbocyclic ring or a S- to 8-membered heterocyclic ring; B1 and B2 rings are pyridyl rings, wherein the B1 and B2 rings are each fused to the A ring and the B1 ring is optionally substituted by one to three groups which are the same or different and are independently selected from R1, R2, and R4, and the B2 ring is optionally substituted by one to three groups which are the same or different and are independently selected from R5, R7, and R3 J1, J2, and J3 are at each occurrence the same or different and are independently - A1QA2-; Q is a bond, O, S, S(O), or S(O)2; A1 and A2 are the same or different and are at each occurrence independently selected from a bond, C1-3 alkylene, substituted C1-3 alkylene, C2-4 alkenylene, and substituted C2-4 alkenylene, provided that A1 and A2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R1 to R11 are as defined herein....
    提供了一种新型的非类固醇化合物,可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病或紊乱,包括代谢性、炎症性和免疫性疾病或紊乱,其结构如下式(I):其对映体、非对映体或互变异构体,或其前药酯,或其药用可接受盐,其中:Z是杂环或杂芳基;• A是S至8-成员碳环或S至8-成员杂环;B1和B2环是吡啶环,其中B1和B2环各与A环融合,B1环可选地由一个至三个基取代,所述基相同或不同,并且独立地从R1、R2和R4中选择,B2环可选地由一个至三个基取代,所述基相同或不同,并且独立地从R5、R7和R3中选择,J1、J2和J3在每次出现时相同或不同,并且独立地为-A1QA2-;Q是键,O,S,S(O)或S(O)2;A1和A2相同或不同,并且在每次出现时独立地从键,C1-3烷基,取代C1-3烷基,C2-4烯烃基和取代C2-4烯烃基中选择,前提是选择A1和A2以使环A为5-至8-成员碳环或杂环;R1至R11如此处所定义...
  • [EN] NITROGEN CONTAINING HETEROARYL COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROARYLES CONTENANT DE L'AZOTE
    申请人:HOFFMANN LA ROCHE
    公开号:WO2011154327A1
    公开(公告)日:2011-12-15
    The invention is concerned with novel nitrogen-containing heteroaryl compounds of formula (I) wherein A1, A2, (a), R1, R2, R3, R4, R5 and R6 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used as medicaments.
    这项发明涉及一种新颖的含氮杂环化合物,其化学式为(I),其中A1、A2、(a)、R1、R2、R3、R4、R5和R6的定义如描述和索赔中所述,以及其生理上可接受的盐和酯。这些化合物抑制PDE10A,可用作药物。
  • NOVEL HETEROCYCLYL COMPOUNDS
    申请人:Adam Jean-Michel
    公开号:US20100022518A1
    公开(公告)日:2010-01-28
    The invention is concerned with novel heterocyclyl compounds of formula (I): wherein A, X, R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , m, n and p are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor and may be used as medicaments.
    这项发明涉及式(I)的新异环烷基化合物:其中A、X、R3、R4、R5、R6、R7、R8、R9、R10、m、n和p如描述和索赔中所定义,并且其生理上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂,可用作药物。
  • Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof
    申请人:Bristol-Myers Squibb Company
    公开号:US08304539B2
    公开(公告)日:2012-11-06
    Novel non-steroidal compounds are provided which are useful in treating diseases or disorders associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including metabolic and inflammatory and immune diseases or disorders, having the structure of formula (I): an enantiomer, diastereomer, or taυtomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; •A is a S- to 8-membered carbocyclic ring or a S- to 8-membered heterocyclic ring; B1 and B2 rings are pyridyl rings, wherein the B1 and B2 rings are each fused to the A ring and the B1 ring is optionally substituted by one to three groups which are the same or different and are independently selected from R1, R2, and R4, and the B2 ring is optionally substituted by one to three groups which are the same or different and are independently selected from R5, R7, and R3 J1, J2, and J3 are at each occurrence the same or different and are independently -A1QA2-; Q is a bond, O, S, S(O), or S(O)2; A1 and A2 are the same or different and are at each occurrence independently selected from a bond, C1-3 alkylene, substituted C1-3 alkylene, C2-4 alkenylene, and substituted C2-4 alkenylene, provided that A1 and A2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R1 to R11 are as defined herein.
    提供了新型非甾体化合物,其在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病或障碍中非常有用,包括代谢性、炎症性和免疫性疾病或障碍,其结构为公式(I):其对映体、顺异构体或互变异构体,或其前药酯,或其药学上可接受的盐,其中:Z是杂环或杂芳基;•A是S-至8元环碳环或S-至8元杂环;B1和B2环是吡啶环,其中B1和B2环各与A环融合,B1环可选地被一到三个相同或不同的基团取代,这些基团独立地从R1、R2和R4中选择,B2环可选地被一到三个相同或不同的基团取代,这些基团独立地从R5、R7和R3 J1、J2和J3在每次出现时都相同或不同,并且独立地是-A1QA2-;Q是键,O,S,S(O)或S(O)2;A1和A2在每次出现时相同或不同,并且独立地从键,C1-3烷基,取代C1-3烷基,C2-4烯基和取代C2-4烯基中选择,前提是A1和A2被选择为环A是5-至8元环碳环或杂环;R1至R11如本文所定义。
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