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1,2-苯并噁噻英,3,4-二氢- | 13754-78-4

中文名称
1,2-苯并噁噻英,3,4-二氢-
中文别名
——
英文名称
dihydrobenzoxathiin
英文别名
benzoxathian;thiachroman;3,4-dihydro-1,2-benzoxathiine
1,2-苯并噁噻英,3,4-二氢-化学式
CAS
13754-78-4
化学式
C8H8OS
mdl
——
分子量
152.217
InChiKey
NTOIMCSZPGZTND-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:
    247.3±43.0 °C(Predicted)
  • 密度:
    1.200±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.6
  • 重原子数:
    10
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.25
  • 拓扑面积:
    34.5
  • 氢给体数:
    0
  • 氢受体数:
    2

SDS

SDS:0333435c2d347ce8ffe8baeaafd4eefb
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反应信息

  • 作为产物:
    描述:
    (5-硝基-2-硫烷基苯基)甲醇2,4-二氟苯甲醛对甲苯磺酸一水合物 作用下, 以 乙酸乙酯甲苯 为溶剂, 以67%的产率得到2-(2,4-difluorophenyl)-6-nitro-3,1-benzoxathian
    参考文献:
    名称:
    Pesticidal heterocyclic compounds
    摘要:
    通式为:##STR1## 其中 R.sub.1 和 R.sub.2 分别代表卤素原子或烷基、烷氧基、卤代烷基、卤代烷氧基、烷氧羰基、烯氧基、氰基或硝基基团;R.sub.3 和 R.sub.4 分别代表氢原子或烷基基团;R.sub.5 代表氢原子,或烷基、烷氧基或烷氧羰基烷基;X 和 Y 分别代表氧原子或硫原子或基团 N-R,其中 R 是氢原子或烷基基团;n 为 0-3;r 为 0 或 1;m 为 0-4;A 或 B 代表通式的基团:其中 R.sub.6 代表氢或卤素原子,或烷基基团;R 代表卤素原子或烷基基团;A 和 B 中的另一个是氢原子或与 R.sub.1 或 R.sub.2 相同,具有有用的杀虫活性。
    公开号:
    US05212171A1
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文献信息

  • TROPAN COMPOUND
    申请人:ONO PHARMACEUTICAL CO., LTD.
    公开号:EP1785421A1
    公开(公告)日:2007-05-16
    The conventional anticholinergic drugs for administration through inhalation have been considered to have the possibility of aggravating dysuria associated with prostatic hyperplasia mediated by blood, and it has been demanded that the conventional anticholinergic drugs for administration through inhalation will have to show reduced side effects or adverse ractions. The present invention relates to a compound represented by the general formula (I): (wherein A represents; and R1, R2, R3 and R1 each a hydrogen atom or a substituent; R5 is a substituent; X- is an anion;the symbol: denotes an exo-form or endo-form, or their mixture), its salt or solvation product thereof. They are useful as a prophylactic and/or therapeutic agent with reduced side effects or adverse reactions for the diseases mediated by the muscarinic receptor.
    传统的抗胆碱药物通过吸入给药被认为可能加重与前列腺增生相关的排尿困难,并要求传统的抗胆碱药物通过吸入给药必须显示减少副作用或不良反应。 本发明涉及一种由通式(I)表示的化合物: (其中A代表; 和R1、R2、R3和R1分别是氢原子或取代基; R5是取代基; X-是阴离子;符号: 表示外向型或内向型,或它们的混合物),其盐或溶剂化产物。它们可用作通过胆碱受体介导的疾病的预防和/或治疗剂,具有减少副作用或不良反应。
  • HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME
    申请人:EA PHARMA CO., LTD.
    公开号:US20160332999A1
    公开(公告)日:2016-11-17
    The present invention provides a compound represented by the formula (I): wherein each symbol is as defined in the DESCRIPTION, or a pharmaceutically acceptable salt thereof. The compound has a superior TRPA1 antagonist activity, and can provide a medicament useful for the prophylaxis or treatment of diseases involving TRPA1 antagonist and TRPA1.
    本发明提供了一种由公式(I)表示的化合物: 其中,每个符号如说明书中所定义,或者其药用可接受的盐。该化合物具有优越的TRPA1拮抗剂活性,并且可以提供一种用于预防或治疗涉及TRPA1拮抗剂和TRPA1的疾病的药物。
  • PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT
    申请人:ONO PHARMACEUTICAL CO., LTD.
    公开号:EP1447401A1
    公开(公告)日:2004-08-18
    A piperidin-2-one derivative compound represented by formula (I): wherein all symbols are described in the specification, or a non-toxic salt thereof. The compound represented by formula (I) inhibits activation of p38MAP kinase, and is useful for prevention and/or treatment of various inflammatory diseases, rheumatoid arthritis, osteoarthritis, arthritis, osteoporosis, autoimmune diseases, infectious diseases, sepsis, cachexia, cerebral infarction, Alzheimer's disease, asthma, chronic pulmonary inflammatory diseases, reperfusion injury, thrombosis, glomerulonephritis, diabetes, graft versus host rejection, inflammatory bowel disease, Crohn's disease, ulcerative colitis, multiple sclerosis, tumor growth and metastasis, multiple myeloma, plasma cell leukemia, Castleman's disease, atrial myxoma, psoriasis, dermatitis, gout, adult respiratory distress syndrome (ARDS), arteriosclerosis, post-percutaneous transluminal coronary angioplasty (PTCA) restenosis or pancreatitis.
    一个由公式(I)表示的哌啶-2-酮衍生物化合物: 其中所有符号都在说明书中描述,或其无毒盐。 由公式(I)表示的化合物能抑制p38MAP激酶的激活,并且可用于预防或治疗各种炎症性疾病、类风湿性关节炎、骨关节炎、关节炎、骨质疏松症、自身免疫病、感染性疾病、败血症、恶病质、脑梗塞、阿尔茨海默病、哮喘、慢性肺泡炎、再灌注损伤、血栓形成、肾小球肾炎、糖尿病、移植物抗宿主病、炎症性肠病、克罗恩病、溃疡性结肠炎、多发性硬化症、肿瘤生长和转移、多发性骨髓瘤、浆细胞白血病、卡斯尔曼病、心房粘液瘤、银屑病、皮炎、痛风、成人呼吸窘迫综合征(ARDS)、动脉硬化、经皮腔内冠状动脉成形术(PTCA)后再狭窄或胰腺炎。
  • Spirocyclobutyl Piperidine Derivatives
    申请人:Bernstein Peter
    公开号:US20100130477A1
    公开(公告)日:2010-05-27
    Disclosed herein is at least one spirocyclobutyl piperidine derivative, at least one pharmaceutical composition comprising at least one spirocyclobutyl piperidine derivative disclosed herein, and at least one method of using at least one spirocyclobutyl piperidine derivative disclosed herein for treating at least one histamine H3 receptor associated condition therewith.
    披露至少一种螺环环丁基哌啶衍生物,至少一种包含本文披露的至少一种螺环环丁基哌啶衍生物的药物组合物,以及至少一种使用本文披露的至少一种螺环环丁基哌啶衍生物治疗至少一种组胺H3受体相关状况的方法。
  • STING AGONISTIC COMPOUND
    申请人:ONO PHARMACEUTICAL CO., LTD.
    公开号:US20210253615A1
    公开(公告)日:2021-08-19
    A drug or agent containing a compound having an agonistic activity to STING as an active ingredient, where the compound is represented by the following general formula (I-1): wherein all symbols represent the same meanings as described in the specification, and the compound can be used as an active ingredient of an agent for suppressing the progression of, suppressing the recurrence of and/or treating cancer or infectious disease.
    一种包含具有对STING具有激动活性的化合物的药物或制剂作为活性成分,其中该化合物由以下一般式(I-1)表示: 其中所有符号表示规范中描述的相同含义,该化合物可用作抑制癌症或传染病的进展、抑制复发和/或治疗的制剂的活性成分。
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同类化合物

6-乙氧基-2-甲基-5,6-二氢-1,4-氧硫杂环己二烯-3-羧酸 5,6-二氢-1,4-氧硫杂环己二烯-2-羧酸 5,6,7,8-四氢-4,7-二甲基-1,2-苯并氧硫杂环己二烯 2,2-二氧化物 2-甲基-5,6-二氢-1,4-氧硫杂环己二烯-3-甲酸 2-甲基-1,4-氧硫杂环己二烯-3-羧酸 1-(6-乙氧基-2-甲基-4-氧代-5,6-二氢-1,4-氧硫杂环己二烯-3-基)乙酮 1,4-苯并氧硫杂环己二烯4,4-二氧化物 1,4-氧硫杂环己二烯 1,4-噁噻英,2,3-二氢-5,6-二甲基- 1,2-苯并噁噻英,3,4-二氢- 1,2-氧硫杂环己二烯 methyl 6-chlorosulfonyl-3-methyl-1,2-benzoxathiin 2,2-dioxide ethyl benzo[e][1,2]oxathiine-3-carboxylate 2,2-dioxide N,N,N',N'-tetramethyl-N''-[2,2,2-trichloro-1-(5',6'-dihydro-2'-methyl-1',4'-oxathiin-3'-carboxamido)ethyl]phosphoric triamide 4-tert-butyl-1-(2,2-dioxido-1,2-benzoxathiin-6-yl)-1H-1,2,3-triazole 2-amino-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxathiine-3-carbonitrile 2,3-dihydro-2-methyl-2,6-diphenyl-1,4-oxathiin 2-[1-(2,2-dioxido-1,2-benzoxathiin-6-yl)-1H-1,2,3-triazol-4-yl]propan-2-ol 5,6-dihydro-[1,2]oxathiine 2,2-dioxide (+/-)-(2R,3R)-3-[(5-acetyl-6-methyl-2-prop-2-enyloxy-2H,3H-1,4-oxathiin-3-yl)methylthio]pentane-2,4-dione 2-propyl-3-(chloroethyl)-5,6-dihydro-1,4-oxathiin 3-(2-chlorobutyl)-5,6-dihydro-2-methyl-1,4-oxathiin 3-(2-chloroethyl)-5,6-dihydro-2-methyl-1,4-oxathiin 1-<5,6-dihydro-2-methyl-6-N-(2'-oxo-2',3',4',5'-tetrahydropyrrolo)-1,4-oxathiin-3-yl>ethanone 3-(2-chloroethyl)-5,6-dihydro-1,4-oxathiin 2-Butanone, 4-(4-hydroxy-2,2-dioxido-1,2-benzoxathiin-3-yl)-4-phenyl- Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester 4,7-Dimethyl-1,2,5,6,7,8-hexahydro-1-oxa-2-thianaphthalene 2,2-dioxide 4,5,6,7,8,9-hexahydro-1H-cyclohept[d][1,2]oxathiin-3-oxide 6,8-dichloro-1,2-benzoxathiine 2,2-dioxide 6-Morpholin-4-yl-2-phenyl-4,5,6,7-tetrahydro-9-oxa-1,8-dithia-3-aza-cyclopenta[a]naphthalene 8,8-dioxide 2-Phenyl-6-piperidin-1-yl-4,5,6,7-tetrahydro-9-oxa-1,8-dithia-3-aza-cyclopenta[a]naphthalene 8,8-dioxide ocimene sultone N,N-diisopropyl-3,4,5,6-tetrahydro-8-phenyl-1,2-oxathiino<5,6-g>benzothiazol-4-amine 2,2-dioxide N,N-dimethyl-3,4,5,6-tetrahydro-8-phenyl-1,2-oxathiino<5,6-g>benzothiazol-4-amine 2,2-dioxide 1,4-dimethyl-5,6,7,8-tetrahydro-benz[d][1,2]oxathiin-3,3-dioxide 2,2-dioxido-1,2-benzoxathiin-6-yl methanesulfonate (5,6-Dihydro-[1,4]oxathiin-2-yl)-acetic acid methyl ester acetic acid 2,2-dioxo-2H-2λ6-benzo[e][1,2]oxathiin-7-yl ester methanesulfonic acid 2,2-dioxo-2H-2λ6-benzo[e][1,2]oxathiin-7-yl ester acetic acid 2,2-dioxo-3,4-dihydro-2H-2λ6-benzo[e][1,2]oxathiin-7-yl ester methanesulfonic acid 2,2-dioxo-3,4-dihydro-2H-2λ6-benzo[e][1,2]oxathiin-7-yl ester ethyl 5,6-dihydro-2-trifluoromethyl-1,4-oxathiin-3-carboxylate 6-Phenyl-1,4-oxathiin-2-one 4-cyclopropyl-1-(2,2-dioxido-1,2-benzoxathiin-6-yl)-1H-1,2,3-triazole 4-(N,N-Diethylamino)-3,4,10,11-tetrahydro-5H-benzo-cyclohepta-1,2-oxathiin-2,2-dioxid (2,2-Dioxo-2,3,4,5,6,7-hexahydro-1-oxa-2λ6-thia-dibenzo[a,c]cyclohepten-4-yl)-diethyl-amine 6-methyl-4-pyrrolidin-1-yl-3,4,5,6,7,8-hexahydro-[1,2]oxathiino[5,6-c]pyridine 2,2-dioxide 6-methyl-4-piperidin-1-yl-3,4,5,6,7,8-hexahydro-[1,2]oxathiino[5,6-c]pyridine 2,2-dioxide 1-(2,2-Dioxo-6-phenyl-3,4-dihydro-2H-2λ6-[1,2]oxathiin-4-yl)-piperidine