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二苯并[b,f]氧杂卓-10-羧酸 | 53921-70-3

中文名称
二苯并[b,f]氧杂卓-10-羧酸
中文别名
——
英文名称
dibenzo[b,f]oxepine-10-carboxylic acid
英文别名
dibenz[b,f]oxepine-10-carboxylic acid;benzo[b][1]benzoxepine-5-carboxylic acid
二苯并[b,f]氧杂卓-10-羧酸化学式
CAS
53921-70-3
化学式
C15H10O3
mdl
——
分子量
238.243
InChiKey
BBBADFKCXHGXLZ-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):
    3.2
  • 重原子数:
    18
  • 可旋转键数:
    1
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    46.5
  • 氢给体数:
    1
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2932999099
  • 储存条件:
    存储条件:2-8℃,干燥且密封。

SDS

SDS:67cd6a59c3da1d4b4b582325dae4c379
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上下游信息

  • 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:
    描述:
    二苯并[b,f]氧杂卓-10-羧酸 在 palladium 10% on activated carbon 氢气 作用下, 以 甲醇 为溶剂, 反应 18.0h, 以100%的产率得到10,11-dihydro-dibenz[b,f]oxepin-10-carboxylic acid
    参考文献:
    名称:
    [EN] COUMPOUNDS MODULATING THE ACTIVITY OF GAPDH AND/OR IAMT
    [FR] COMPOSES MODULANT L'ACTIVITE DE GAPDH ET/OU DE L'IAMT
    摘要:
    小说化合物及其用于调节L-异天冬氨酸(D-天冬氨酸) 0-甲基转移酶和/或甘油醛-3-磷酸脱氢酶活性,可预防、治疗或缓解糖尿病、自身免疫疾病和神经退行性疾病。化合物可为以下任一式I - IV:
    公开号:
    WO2004039773A2
  • 作为产物:
    描述:
    2-苯氧基苯基乙腈草酸二乙酯乙醇sodium硫酸 作用下, 以 溶剂黄146 为溶剂, 反应 23.0h, 以77%的产率得到二苯并[b,f]氧杂卓-10-羧酸
    参考文献:
    名称:
    [EN] COUMPOUNDS MODULATING THE ACTIVITY OF GAPDH AND/OR IAMT
    [FR] COMPOSES MODULANT L'ACTIVITE DE GAPDH ET/OU DE L'IAMT
    摘要:
    小说化合物及其用于调节L-异天冬氨酸(D-天冬氨酸) 0-甲基转移酶和/或甘油醛-3-磷酸脱氢酶活性,可预防、治疗或缓解糖尿病、自身免疫疾病和神经退行性疾病。化合物可为以下任一式I - IV:
    公开号:
    WO2004039773A2
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文献信息

  • Anti-neurodegeneratively active 10-aminoaliphatyl-dibenzi \x9bb,f! oxepines
    申请人:Novartis Corporation
    公开号:US05780500A1
    公开(公告)日:1998-07-14
    Base-substituted debenz\x9bb,f!oxepines of formula I ##STR1## wherein alk is a divalent aliphatic radical, R is an amino group that is unsubstituted or mono- or di-substituted by monovalent aliphatic and/or araliphatic radicals or disubstituted by divalent aliphatic radicals, and R.sub.1, R.sub.2, R.sub.3 and R.sub.4 are each, independently of the others, hydrogen, lower alkyl, lower alkoxy, halogen or trifluoromethyl, and pharmaceutically acceptable salts thereof, may be used as anti-neurodegenerative active ingredients of medicaments. The invention relates also to novel compounds of formula I.
    式I的碱基取代的脱苯基氧杂环庚烷化合物##STR1##其中alk是二价脂肪基,R是未取代或经单价脂肪和/或芳基脂肪基单取代或双取代的基,或者经二价脂肪基双取代,R.sub.1、R.sub.2、R.sub.3和R.sub.4分别独立于其他的,是氢、低烷基、低烷氧基、卤素或三甲基,以及其药学上可接受的盐,可用作药物的抗神经退行性活性成分。该发明还涉及式I的新化合物。
  • Tricyclic Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease
    申请人:Nanternet Philippe G.
    公开号:US20090182021A1
    公开(公告)日:2009-07-16
    The present invention is directed to tricyclic compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.
    本发明涉及三环化合物,它们是β-分泌酶的抑制剂,并且在治疗β-分泌酶参与的疾病,如阿尔茨海默病中有用。该发明还涉及包含这些化合物的药物组合物,以及在治疗β-分泌酶参与的这类疾病中使用这些化合物和组合物。
  • Biologically active compounds
    申请人:Quibell Martin
    公开号:US20060100431A1
    公开(公告)日:2006-05-11
    Compounds of general formula (I) wherein Z=CR 3 R 4 , where R 3 and R 4 are independently chosen from C 0-7 -alkyl P 1 =CR 5 R 6 , P 2 =O, CR 7 R 8 or NR 9 , Y=CR 10 R 11 —C(O) or CR 10 R 11 —C(S) or CR 10 R 11 —S(O) or CR 10 R 11 —SO 2 (X) 0 =.CR 16 R 17 (W) n =0 , S, C(O), S(O) or S(O) 2 — or NR 18 (V) m =C(O), C(S), S(O), S(O) 2 , S(O) 2 NH, OC(O), NHC(O), NHS(O), NHS(O) 2 , OC(O)NH, C(O)NH or CR 19 R 20 , C═N—C(O)—OR 19 or C═N═C(O)—NHR 19 , U=a stable. 5- to 7 membered monocyclic or a stable 8- to 11-membered bicyclic ring which is either saturated or unsaturated, and which includes zero to four heteroatoms and their sales, hydrates, solvates, complexes and prodruges are inhibitors of cathepsin K and other cysteine protease inhibitors and are useful as therapeutic agents, for example in osteoporosis, Paget's disease gingival diseases such as gingivitis and periodontis, hypercalaemia of malignancy, metabolic bone disease, diseases involving matrix or cartilage degradation, in particular osteoarthitis and rheumatoid arthritis and neoplastic diseases. The compounds are also useful for validating therapeutic target compounds.
    通式(I)的化合物,其中Z=CR3R4,其中R3和R4独立地选择自C0-7烷基;P1=CR5R6,P2=O,CR7R8或NR9;Y=CR10R11—C(O)或CR10R11—C(S)或CR10R11—S(O)或CR10R11—SO2(X)0=.CR16R17(W)n=0、S、C(O)、S(O)或S(O)2—或NR18(V)m=C(O)、C(S)、S(O)、S(O)2、S(O)2NH、OC(O)、NHC(O)、NHS(O)2、OC(O)NH、C(O)NH或CR19R20、C═N—C(O)—OR19或C═N═C(O)—NHR19;U=稳定的5-至7-成员单环或稳定的8-至11-成员双环,它可以是饱和或不饱和,并且可以包含零到四个杂原子,以及它们的盐、合物、溶剂合物、配合物和前药是猫hepsin K和其他半胱酸蛋白酶抑制剂,可用作治疗剂,例如在骨质疏松症、帕吉特病、牙龈疾病如牙龈炎和牙周炎、恶性高血症、代谢性骨病、涉及基质或软骨降解的疾病,特别是骨关节炎和类风湿性关节炎和肿瘤性疾病。这些化合物也可用于验证治疗靶点化合物。
  • Treatment method using anti-neurodegeneratively active
    申请人:Novartis Corporation
    公开号:US05780501A1
    公开(公告)日:1998-07-14
    Base-substituted dibenz\x9bb,f!oxepines of formula I ##STR1## wherein alk is a divalent aliphatic radical, R is an amino group that is unsubstituted or mono- or di-substituted by monovalent aliphatic and/or araliphatic radicals or disubstituted by divalent aliphatic radicals, and R.sub.1, R.sub.2, R.sub.3 and R.sub.4 are each, independently of the others, hydrogen, lower alkyl, lower alkoxy, halogen or trifluoromethyl, and pharmaceutically acceptable salts thereof, may be used as anti-neurodegenerative active ingredients of medicaments. The invention relates also to novel compounds of formula I.
    式I的基置换的二苯并[b,f]噁啉,其中alk是二价的脂肪基,R是未取代或单取代或二取代的单价脂肪基和/或芳脂基基团或二价脂肪基基团的基基团,而R.sub.1,R.sub.2,R.sub.3和R.sub.4各自独立地是氢,较低的烷基,较低的烷氧基,卤素或三甲基,以及其医药上可接受的盐,可以用作药物的抗神经退行性活性成分。本发明还涉及式I的新化合物。
  • Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof
    申请人:Auberson Yves
    公开号:US20070111991A1
    公开(公告)日:2007-05-17
    The present invention pertains to novel dibenzo[b,f]oxepine-10-carboxamides compound to a process for the preparation of such compounds of formula I, their use as a pharmaceuticals, especially in the treatment of neurological and vascular disorders related to beta-amyloid generation and/or aggregation, and to pharmaceutical compositions and combinations comprising such compounds of formula I.
    本发明涉及一种新的二苯并[b,f]噁喹啉-10-羧酰胺化合物,以及制备该式I化合物的方法,其在药物学中的应用,尤其是在与β-淀粉样蛋白生成和/或聚集有关的神经和血管疾病的治疗中的应用,以及包含该式I化合物的药物组合物和制剂。
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