3,6-二氯苯并[d]异噁唑 | 16263-54-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 中文名称: 3,6-二氯苯并[d]异噁唑
• 英文名称: 3,6-dichlorobenzisoxazole
• 英文别名: 3,6-dichloro-benzo[d]isoxazole；3,6-dichloro-1,2-benzisoxazole；3,6-dichlorobenzo[d]isoxazole；3,6-dichlorobenzoisoxazole；3,6-Dichlor-1,2-benzisoxazol；3,6-dichloro-1,2-benzoxazole
• CAS: 16263-54-0
• 化学式: C₇H₃Cl₂NO
• mdl: MFCD06659626
• 分子量: 188.013
• InChiKey: POPXRBHETNDMFP-UHFFFAOYSA-N

物化性质

• 沸点：
  290.1±20.0 °C(Predicted)
• 密度：
  1.522±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3,6-二氯苯并[d]异噁唑 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (5R)-5-(3-{[3-(6-chlorobenzisoxazol-3-yl)-2-oxo-benzimidazol-1-yl]methyl}phenyl)-5-methyloxazolidinedione
  参考文献：
  名称：

  Benzimidazolones: A New Class of Selective Peroxisome Proliferator-Activated Receptor γ (PPARγ) Modulators

  摘要：

  A series of benzimidazolone carboxylic acids and oxazolidinediones were designed and synthesized in search of selective PPAR gamma modulators (SPPAR gamma Ms) as potential therapeutic agents for the treatment of type II diabetes mellitus (T2DM) with improved safety profiles relative to rosiglitazone and pioglitazone, the currently marketed PPAR gamma full agonist drugs. Structure activity relationships of these potent and highly selective SPPAR gamma Ms were studied with a focus on their unique profiles as partial agonists or modulators. A variety of methods, such as X-ray aystallographic analysis, PPAR gamma transactivation coactivator profiling, gene expression profiling, and mutagenesis studies, were employed to reveal the differential interactions of these new analogues with PPAR gamma receptor in comparison to full agonists. In rodent models of T2DM, benzimidazolone analogues such as (5R)-5-(3-{[3-(5-methoxybenzisoxazol-3-yl)benzimidazol-1-yl]methyl}phenyl)-5-methyloxazolidinedione (Si) demonstrated efficacy equivalent to that of rosiglitazone. Side effects, such as fluid retention and heart weight gain associated with PPAR gamma full agonists, were diminished with 51 in comparison to rosiglitazone based on studies in two independent animal models.

  DOI：

  10.1021/jm201061j
• 作为产物：
  描述：

  4-氯-N,2-二羟基苯胺 在 氯化亚砜 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 3,6-二氯苯并[d]异噁唑
  参考文献：
  名称：

  EP2322520

  摘要：

  公开号：

文献信息

• 3-O-HETEROARYL-INGENOL
  申请人：LEO LABORATORIES LIMITED

  公开号：US20150175622A1

  公开（公告）日：2015-06-25

  The present invention relates to a compound according to formula (I) wherein R 1 represents optionally substituted heteroaryl, and pharmaceutically acceptable salts, hydrates, solvates or pharmaceutically acceptable and physiologically cleavable esters thereof. The invention relates further to intermediates for the preparation of said compounds, to said compounds for use in therapy, to pharmaceutical compositions comprising said compounds, to methods of treating diseases, e.g. diseases associated with hyperplasia, neoplasia or dysplasia, with said compounds, to methods of treatment of cosmetic indications with said compounds, and to the use of said compounds in the manufacture of medicaments.

  本发明涉及一种化合物，其化学式为（I），其中R1代表可选择取代的杂环烷基，以及药学上可接受的盐、水合物、溶剂合物或其药学上可接受和生理上可分解的酯。本发明还涉及用于制备所述化合物的中间体，用于治疗的所述化合物，包含所述化合物的药物组合物，用所述化合物治疗疾病的方法，例如与细胞增生、新生物或异形增生相关的疾病，用所述化合物治疗化妆指标的方法，以及用所述化合物制造药物的用途。
• Benzisothiazole and benzisoxazole piperazine derivatives
  申请人：Mead Johnson & Company

  公开号：US04411901A1

  公开（公告）日：1983-10-25

  Disubstituted N,N-piperazinyl derivatives are disclosed wherein one substituent is benzisothiazol-3-yl or benzisoxazol-3-yl and the other is alkylene attached to heterocycles such as azaspiro[4.5]decanedione, dialkylglutarimide, thiazolidinedione and spirocyclopentylthiazolidinedione or butyrophenone-like groups. The compounds have psychotropic properties and 8-[4-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]butyl]-8-azaspior[4.5]deca ne-7,9-dione is a typical embodiment having selective antipsychotic activity.

  本发明公开了二取代的N，N-哌嗪衍生物，其中一个取代基是苯并异噻唑-3-基或苯并异恶唑-3-基，另一个取代基是连接到杂环上的烷基，例如氮杂螺[4.5]癸二酮，二烷基谷氨酰胺，噻唑烷二酮和螺环戊基噻唑烷二酮或丁酰苯酮类似的基团。这些化合物具有精神药理学性质，8-[4-[4-(1,2-苯并异噻唑-3-基)-1-哌嗪基]丁基]-8-氮杂螺[4.5]癸-7,9-二酮是一种具有选择性抗精神病活性的典型实施例。
• Neuroleptic perhydro-1H-pyrido[1,2-a]pyrazines
  申请人：Pfizer Inc.

  公开号：US05157034A1

  公开（公告）日：1992-10-20

  Antipsychotic compounds having the formula ##STR1## wherein Z is H or Cl; Y is O or S; n is 1-4; separately, X is H or (C.sub.1 -C.sub.2)alkyl and L is R(CH.sub.2).sub.m CO, m is 0 or 1-3, R is (C.sub.1 -C.sub.6)alkyl, (C.sub.3 -C.sub.7)cycloalkyl, phenyl, naphthyl, furyl, benzofuranyl, thienyl, benzothienyl, pyrrolyl, indolyl, isoindolyl or one of said groups substituted on aromatic or heteroaromatic ring with fluoro, chloro, (C.sub.1 -C.sub.2)alkyl or (C.sub.1 -C.sub.2)alkoxy; or together L and X, in combination with the nitrogen to which they are attached, form certain cyclic imides, 4-substituted piperidines or a cyclic sulfonamide.

  具有以下式子的抗精神病化合物：##STR1## 其中，Z为H或Cl; Y为O或S; n为1-4; 分别，X为H或（C.sub.1-C.sub.2）烷基，L为R（CH.sub.2）.sub.m CO，m为0或1-3，R为（C.sub.1-C.sub.6）烷基，（C.sub.3-C.sub.7）环烷基，苯基，萘基，呋喃基，苯并呋喃基，噻吩基，苯并噻吩基，吡咯基，吲哚基，异吲哚基或其中一种被氟、氯、（C.sub.1-C.sub.2）烷基或（C.sub.1-C.sub.2）烷氧基取代的芳香或杂芳环上的基团；或者L和X在与它们附着的氮原子结合时，形成某些环酰亚胺，4-取代哌啶或环磺酰胺。
• Process for preparing trans-piperidine-2,5-dicarboxylates
  申请人：Pfizer Inc.

  公开号：US05637713A1

  公开（公告）日：1997-06-10

  Process for the preparation of a dialkyl trans-piperidine-2,5-dicarboxylate from a corresponding dialkyl cis-piperidine-2,5-dicarboxylate via a trans-substituted pyridine derivative of the formula ##STR1## wherein R is a (C.sub.1 -C.sub.3)alkyl group.

  从相应的二烷基顺式-哌啶-2,5-二羧酸二烷酯经由一种公式为##STR1##的顺式取代吡啶衍生物制备二烷基反式-哌啶-2,5-二羧酸二烷酯的方法，其中R为(C.sub.1-C.sub.3)烷基。
• Benzoureas Having Anti-Diabetic Activity
  申请人：Lui Weiguo

  公开号：US20080076810A1

  公开（公告）日：2008-03-27

  Benzourea compounds of Formula I having aryl-(CH 2 ) x -oxazolidinedione or aryl-(CH 2 ) x -thiazolidinedione substituents on one of the N atoms of the benzourea ring, wherein x is 0 or 1, are PPAR gamma agonists or partial agonists and are useful in the treatment and control of type II diabetes, including hyperglycemia and other symptoms such as dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity, that are often associated with type 2 diabetes.

  具有在苯甲酰脲环的一个N原子上具有芳基-(CH2)x-噁唑啉二酮或芳基-(CH2)x-噻唑啉二酮取代基的公式I的苯甲酰脲化合物，其中x为0或1，是PPAR gamma激动剂或部分激动剂，并且在治疗和控制II型糖尿病，包括高血糖和其他症状，如血脂异常、高脂血症、高胆固醇血症、高三酰甘油血症和肥胖症方面非常有用，这些症状通常与2型糖尿病相关。