1H,3H-4,2,1-benzoxathiazine-2,2-dioxide | 143184-93-4

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 1H,3H-4,2,1-benzoxathiazine-2,2-dioxide
• 英文别名: 1,3-dihydro-4,2,1-benzoxathiazine-2,2-dione；2H,4H-1,3,4-benzoxathiazine-3,3-dioxide；1H-4,2,1-benzoxathiazine 2,2-dioxide；1H-4,2λ6,1-benzoxathiazine 2,2-dioxide
• CAS: 143184-93-4
• 化学式: C₇H₇NO₃S
• 分子量: 185.203
• InChiKey: VNKLMKQTGFITDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1H,3H-4,2,1-benzoxathiazine-2,2-dioxide 在 甲醇 、 tris-(dibenzylideneacetone)dipalladium(0) 、 溴 、 sodium hydroxide 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1-(2,2-dioxo-1,3-dihydro-4,2,1-benzoxathiazin-6-yl)cyclopropane-1-carboxylic acid
  参考文献：
  名称：

  [EN] N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES
  [FR] DÉRIVÉS DE N-{[2-(PIPÉRIDIN-1-YL)PHÉNYL](PHÉNYL)MÉTHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACÉTAMIDE ET COMPOSÉS APPARENTÉS UTILISÉS EN TANT QUE MODULATEURS DE ROR-GAMMA POUR LE TRAITEMENT DE MALADIES AUTO-IMMUNES

  摘要：

  本发明提供了例如N-{[2-(哌啶-1-基)苯基](苯基)甲基}-2-(3-氧代-3,4-二氢-2H-1,4-苯并噁嗪-7-基)乙酰胺衍生物和相关化合物，作为ROR-gamma调节剂，用于治疗例如自身免疫疾病、自身免疫相关疾病、炎症性疾病、代谢性疾病、纤维化疾病或胆汁淤积性疾病，例如关节炎和哮喘。

  公开号：

  WO2018138362A1
• 作为产物：
  描述：

  1-chloro-N-(2-methoxyphenyl)methanesulfonamide 在 三溴化硼 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.25h， 生成 1H,3H-4,2,1-benzoxathiazine-2,2-dioxide
  参考文献：
  名称：

  [EN] N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES
  [FR] DÉRIVÉS DE N-{[2-(PIPÉRIDIN-1-YL)PHÉNYL](PHÉNYL)MÉTHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACÉTAMIDE ET COMPOSÉS APPARENTÉS UTILISÉS EN TANT QUE MODULATEURS DE ROR-GAMMA POUR LE TRAITEMENT DE MALADIES AUTO-IMMUNES

  摘要：

  本发明提供了例如N-{[2-(哌啶-1-基)苯基](苯基)甲基}-2-(3-氧代-3,4-二氢-2H-1,4-苯并噁嗪-7-基)乙酰胺衍生物和相关化合物，作为ROR-gamma调节剂，用于治疗例如自身免疫疾病、自身免疫相关疾病、炎症性疾病、代谢性疾病、纤维化疾病或胆汁淤积性疾病，例如关节炎和哮喘。

  公开号：

  WO2018138362A1

文献信息

• Aminobenzosultam derivatives as lipoxygenase inhibitors
  申请人：Pfizer Inc.

  公开号：US05504095A1

  公开（公告）日：1996-04-02

  Aminobenzosultam derivatives, which are inhibitors of lipoxygenase, having the formula ##STR1## and the pharmaceutically acceptable acid addition salts thereof, wherein Ar is cycloalkyl having five to seven carbon atoms, tetrahydropyranyl, pyridyl, oxazolyl, phenyl or substituted phenyl wherein said substituent is methyl, methoxy, fluoro, chloro or trifluoromethyl; n is an integer of 1 to 3; X is hydrogen, methyl, methoxy, fluoro, chloro or trifluoromethyl; Z is --NH--, --O--, or --CH.sub.2 --; and R.sup.1 is hydrogen or alkyl having one to three carbon atoms.

  氨基苯磺酰胺衍生物是脂氧化酶抑制剂，具有以下结构式##STR1##及其药用酸盐，其中Ar为含有五至七个碳原子的环烷基、四氢吡喃基、吡啶基、噁唑基、苯基或取代苯基，所述取代基为甲基、甲氧基、氟、氯或三氟甲基；n为1至3的整数；X为氢、甲基、甲氧基、氟、氯或三氟甲基；Z为--NH--、--O--或--CH.sub.2 --；R.sup.1为氢或含有一至三个碳原子的烷基。
• CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE
  申请人：Fensome Andrew

  公开号：US20080171737A1

  公开（公告）日：2008-07-17

  The present invention is directed to cyclic sulfonamide derivatives of formula I: or a pharmaceutically acceptable salt thereof, which are monoamine reuptake inhibitors, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions, including, inter alia, vasomotor symptoms, sexual dysfunction, gastrointestinal disorders and genitourinary disorder, depression disorders, endogenous behaviorial disorder, cognitive disorder, diabetic neuropathy, pain, and other diseases or disorders.

  本发明涉及公式I的环状磺酰胺衍生物或其药学上可接受的盐，其为单胺再摄取抑制剂，包含这些衍生物的组合物，以及它们用于预防和治疗病症的方法，包括但不限于血管运动症状、性功能障碍、胃肠道疾病和泌尿生殖系统疾病、抑郁症、内源性行为障碍、认知障碍、糖尿病神经病变、疼痛和其他疾病或疾患。
• N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases
  申请人：Genfit

  公开号：US11052092B2

  公开（公告）日：2021-07-06

  The present invention provides e.g. N-[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating e.g. autoimmune diseases, autoimmune-related diseases, inflammatory diseases, metabolic diseases, fibrotic diseases or cholestatic diseases, such as e.g. arthitis and asthma.

  本发明提供了例如N-[2-(哌啶-1-基)苯基](苯基)甲基}-2-(3-氧代-3,4-二氢-2H-1,4-苯并恶嗪-7-基)乙酰胺衍生物和相关化合物作为ROR-γ调节剂，用于治疗例如自身免疫性疾病、自身免疫相关疾病、炎症性疾病、代谢性疾病、纤维化疾病或胆汁淤积性疾病，例如关节炎和哮喘。
• WO2008/73956
  申请人：——

  公开号：——

  公开（公告）日：——
• Heteroatom insertion into 3,4-dihydro-1H-quinolin-2-ones leads to potent and selective inhibitors of human and rat aldosterone synthase
  作者：Cornelia M. Grombein、Qingzhong Hu、Sabrina Rau、Christina Zimmer、Rolf W. Hartmann

  DOI：10.1016/j.ejmech.2014.12.022

  日期：2015.1

  Aldosterone synthase (CYP11B2) catalyzes the conversion of 11-deoxycorticosterone to aldosterone via corticosterone and 18-hydroxycorticosterone. CYP11B2 is regarded as a new target for several cardiovascular diseases which are associated with chronically elevated aldosterone levels such as hypertension, congestive heart failure and myocardial fibrosis. In this paper, we optimized heterocycle substituted 3,4-dihydropyridin-2(1H)-ones as CYP11B inhibitors by systematic introduction of heteroatoms and by bioisosteric exchange of the lactame moiety by a sultame moiety. The most promising compounds regarding inhibition of human CYP11B2 and selectivity versus human enzymes CYP11B1, CYP17, and CYP19 were tested for inhibition of rat CYP11B2. Thus, we discovered compounds 4 and 9 which show potent inhibition of hCYP11B2 (IC50 < 1 nM) and the corresponding rat enzyme (4: 64%, 9: 51% inhibition, at 2 mu M). (C) 2015 Elsevier Masson SAS. All rights reserved.