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二环<3.3.0>-2-氧杂-5-(2-丙烯基)-1-辛烯 | 161394-50-9

中文名称
二环<3.3.0>-2-氧杂-5-(2-丙烯基)-1-辛烯
中文别名
——
英文名称
bicyclo<3.3.0>-2-oxa-5-(2-propenyl)-1-octene
英文别名
3a-Prop-2-enyl-2,3,4,5-tetrahydrocyclopenta[b]furan
二环<3.3.0>-2-氧杂-5-(2-丙烯基)-1-辛烯化学式
CAS
161394-50-9
化学式
C10H14O
mdl
——
分子量
150.221
InChiKey
WBRYUDKSKFXYOD-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

物化性质

  • 沸点:
    217.2±7.0 °C(Predicted)
  • 密度:
    0.99±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.5
  • 重原子数:
    11
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.6
  • 拓扑面积:
    9.2
  • 氢给体数:
    0
  • 氢受体数:
    1

反应信息

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文献信息

  • IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS
    申请人:Daiichi Sankyo Company, Limited
    公开号:US20150051190A1
    公开(公告)日:2015-02-19
    The present invention is intended to provide a compound or a pharmacologically acceptable salt thereof which is useful in the treatment of a tumor through its ROS1 kinase enzyme activity inhibitory effect and NTRK kinase enzyme inhibitory effect. The present invention provides a compound having an imidazo[1,2-b]pyridazine structure represented by the general formula (I) or a pharmacologically acceptable salt thereof, and a pharmaceutical composition comprising the compound. In the formula, R 1 , G, T, Y 1 , Y 2 , Y 3 , and Y 4 are as defined herein.
    本发明旨在提供一种化合物或其药理学上可接受的盐,通过其对ROS1激酶酶活性的抑制作用和NTRK激酶酶抑制作用,在肿瘤治疗中具有用途。本发明提供了一种具有通式(I)所代表的咪唑并[1,2-b]吡啶结构的化合物或其药理学上可接受的盐,以及包含该化合物的药物组合物。在该式中,R1、G、T、Y1、Y2、Y3和Y4如本处所定义。
  • GLYCINE TRANSPORTER INHIBITOR
    申请人:TAISHO PHARMACEUTICAL CO., LTD.
    公开号:US20160159814A1
    公开(公告)日:2016-06-09
    The present invention provides novel compounds of formula [I] or pharmaceutically acceptable salts thereof: which are useful in the prevention or treatment of diseases such as schizophrenia, Alzheimer's disease, cognitive impairment, dementia, anxiety disorders (e.g., generalized anxiety disorder, panic disorder, obsessive-compulsive disorder, social anxiety disorder, post-traumatic stress disorder, specific phobias, acute stress disorder), depression, drug dependence, spasm, tremor, pain, Parkinson's disease, attention deficit hyperactivity disorder, bipolar disorder, eating disorder, or sleep disorders, which is based on the glycine uptake-inhibiting action.
    本发明提供了式[I]或其药学上可接受的盐的新化合物,其可用于预防或治疗诸如精神分裂症、阿尔茨海默病、认知障碍、痴呆、焦虑症(例如广泛性焦虑症、惊恐症、强迫症、社交性焦虑症、创伤后应激障碍、特定恐惧症、急性应激障碍)、抑郁症、药物依赖、痉挛、震颤、疼痛、帕森病、注意力缺陷多动障碍、双相情感障碍、进食障碍或睡眠障碍等疾病,其基于甘酸摄取抑制作用。
  • HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE
    申请人:TAISHO PHARMACEUTICAL CO., LTD.
    公开号:US20150183768A1
    公开(公告)日:2015-07-02
    A heteroaromatic methyl cyclic amine derivative represented by formula (IA) or a pharmaceutically acceptable salt thereof is useful for treatment or prophylaxis of diseases such as sleep disorder, depression, anxiety disorder, panic disorder, schizophrenia, drug dependence, Alzheimer's disease, Parkinson's disease, Huntington's disease, eating disorder, cephalalgia, hemicrania, pain, digestive diseases, epilepsy, inflammation, immune-related diseases, endocrine-related diseases and hypertension, on the basis of an orexin (OX) receptor antagonist activity.
    公式(IA)所代表的杂环甲基环生物或其药学上可接受的盐,具有促进治疗或预防睡眠障碍、抑郁症、焦虑症、惊恐症、精神分裂症、药物依赖、阿尔茨海默病、帕森病、亨廷顿病、进食障碍、头痛、偏头痛、疼痛、消化系统疾病、癫痫、炎症、免疫相关疾病、内分泌相关疾病和高血压等疾病的效用,其基础是具有促进促进矿物质皮质激素(OX)受体拮抗活性。
  • IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVE AS KINASE INHIBITOR
    申请人:Daiichi Sankyo Co., Ltd.
    公开号:EP2857404A1
    公开(公告)日:2015-04-08
    The present invention is intended to provide a compound or a pharmacologically acceptable salt thereof which is useful in the treatment of a tumor through its ROS1 kinase enzyme activity inhibitory effect and NTRK kinase enzyme inhibitory effect. The present invention provides a compound having an imidazo[1,2-b]pyridazine structure represented by the general formula (I) or a pharmacologically acceptable salt thereof, and a pharmaceutical composition comprising the compound. In the formula, R1, G, T, Y1, Y2, Y3, and Y4 are as defined herein.
    本发明旨在提供一种化合物或其药理学上可接受的盐,通过其 ROS1 激酶活性抑制作用和 NTRK 激酶抑制作用,该化合物或其药理学上可接受的盐可用于治疗肿瘤。本发明提供了一种具有通式(I)代表的咪唑并[1,2-b]哒嗪结构的化合物或其药理学上可接受的盐,以及包含该化合物的药物组合物。式中,R1、G、T、Y1、Y2、Y3 和 Y4 如本文所定义。
  • 1,3-OXAZOLIDINE OR 1,3-OXAZINANE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS
    申请人:Taisho Pharmaceutical Co., Ltd.
    公开号:EP2862860B1
    公开(公告)日:2016-12-21
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

胰岛素原(cattle),29-[N6-[[2-(甲磺酰)乙氧基]羰基]-L-赖氨酸]-59-[N6-[[2-(甲磺酰)乙氧基]羰基]-L-赖氨酸]-(9CI) 十氢-2,7-苯并二氧杂环癸烷-3,6-二酮 二环<3.3.0>-2-氧杂-5-(2-丙烯基)-1-辛烯 乙烯邻苯二甲酸酯 [(E,1R)-1-[(2R,4Z,7S,8R)-7-溴-8-乙基-3,6,7,8-四氢-2H-氧杂环辛三烯-2-基]己-3-烯-5-炔基]乙酸酯 [(2R,3S,4E,6R,7S)-6,7-二羟基-2-甲基-10-氧代-2,3,6,7,8,9-六氢氧杂环辛三烯-3-基] (E)-丁-2-烯酸酯 6,7-二氢-5aH-氧杂环丁烷并[3,2-d][1,3]苯并二氧戊环 5-氧杂-10-氮杂三环[5.3.1.03,8]十一碳-1(10),2,6,8-四烯 3-氧杂二环[3.3.1]壬-6-烯-9-酮 3,4,5,6-四氢-2,7-苯并二氧杂环癸烷e-1,8-二酮 17-苯基-18,19,20-三去甲-前列腺素F2-alpha1,15-内酯 10-(乙酰氧基)-4,5,6,7-四氢-2H-1-苯并氧杂环辛三烯-2,8(3H)-二酮 1-(2,3,4,5-四氢-1,6-苯并二噁辛英-8-基)丙烷-1-酮 1,2-环己烷二甲酸1-甲基-1,2-乙二基酯 (S)-5-烯丙基-2-氧杂双环[3.3.0]辛-8-烯 (R)-5-烯丙基-2-氧杂双环[3.3.0]辛-8-烯 (7Z)-2-(3-溴丙-1,2-二烯基)-5-(1-溴丙基)-3,3a,5,6,9,9a-六氢-2H-呋喃并[3,2-b]氧杂环辛三烯 (7E)-4,7-二羟基-10-甲基-3,4,5,6,9,10-六氢氧杂环辛三烯-2-酮 (6Z)-10-甲基-3,4,5,8,9,10-六氢-2H-氧杂环辛三烯-2-酮 (5Z,8S)-3-氯-2-[(E)-戊-2-烯-4-炔基]-8-[(E)-丙-1-烯基]-3,4,7,8-四氢-2H-氧杂环辛三烯 (4Z)-3,6-二氢-2,7-苯并二氧杂环癸烷e-1,8-二酮 (4S,5Z,7S,8S,10R)-4,7,8-三羟基-10-甲基-3,4,7,8,9,10-六氢氧杂环辛三烯-2-酮 (4R,5R,6Z,8S,10R)-4,5,8-三羟基-10-甲基-3,4,5,8,9,10-六氢氧杂环辛三烯-2-酮 (2R,5Z)-8a-[(R)-1-溴丙基]-3a-氯-3,4,7,8-四氢-2a-[(Z)-2-戊烯-4-炔基]-2H-氧杂环辛三烯 8-Chlor-1,6-benzodioxocin 2,2,6-Trifluoro-4-phenyl-3-trifluoromethyl-2H-pyran 2,3,4,5,6,7-Hexahydro-1-benzoxonin aspinolide C 4-deutero-4,5-dihydro-2H-benzo[b]oxocin-6(3H)-one 3-Carbethoxy-4-bromo-5,6-dihydro-2-pyron (E,8S,13S)-8,13-diisopropyl-5,8,9,12,13,16-hexahydro-6,15-dioxa-benzocyclotetradecene-7,14-dione (1S,7Z,10R,11S)-11-t-butyldimethylsolyloxy-4-oxabicyclo[8.3.0]tridec-7-en-3-one (Z)-2-Methyl-3a,4,5,6,7,9a-hexahydro-cycloocta[b]furan-3-carboxylic acid ethyl ester (5R,8S,9R,10S,E)-5,8,9-trihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one 19,21-Dimethyl-4,15-dioxa-bicyclo[16.2.2]docosa-1(21),18(22),19-triene-3,16-dione (1S,4aR,8aS)-1,4,4a,8a-Tetrahydro-naphthalen-1-ol 5-methyl-2-oxo-2H-cyclohepta[b]furan-3-carboxylic acid methyl ester trans,trans-2,3;10,11-Dibenzo-1,4,9,12-tetraoxa-cyclohexadecatetraen-(2,6,10,14) 1-C-(4-O-acetyl-2,3,6-trideoxy-β-L-erytro-hex-2-en-pyranosyl)-3-bromopentane 2,2,2-Trichloro-acetimidic acid (2S,3S,6R)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-3-yl ester 1-C-(4-O-acetyl-2,3,6-trideoxy-α-L-erytro-hex-2-en-pyranosyl)-5-bromopentane (3,4-dihydro-1H-2-benzopyran-7-yl)methanesulfonylchloride methyl 2,3-C-(2-butene-1,4-diyl)-2,3-dideoxy-α,β-D-talofuranoside 3-oxobicyclo<7.3.1>-trideca-1(12),9(10)-diene-(ZZ)-12-carboxylic acid (3aS,5S,6R,8aR)-6-Hydroxy-5-methyl-3,3a,4,5,6,8a-hexahydro-cyclohepta[b]furan-2-one (Z)-3-butyl-6,7,8,9-tetrahydrooxonin-2(5H)-one 3,6-dihydro-4-methyl-2H-1-benzoxocine 18,20-Dimethyl-4,14-dioxa-bicyclo[15.2.2]henicosa-1(20),17(21),18-triene-3,15-dione 3-butyl-5,6,7,8,9,10-hexahydro-2H-oxecin-2-one