[5-(3-Chloro-phenyl)-2-(1-hydroxy-1-methyl-ethyl)-thiophen-3-yl]-carbamic acid allyl ester | 304477-87-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [5-(3-Chloro-phenyl)-2-(1-hydroxy-1-methyl-ethyl)-thiophen-3-yl]-carbamic acid allyl ester
• 英文别名: prop-2-enyl N-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)thiophen-3-yl]carbamate
• CAS: 304477-87-0
• 化学式: C₁₇H₁₈ClNO₃S
• 分子量: 351.854
• InChiKey: KLVZNCVKTKIRMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  86.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [5-(3-Chloro-phenyl)-2-(1-hydroxy-1-methyl-ethyl)-thiophen-3-yl]-carbamic acid allyl ester 在 水 、 甲醇 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 生成 6-(3-Chlorophenyl)-1,4-dihydro-4,4-dimethyl-2H-thieno[3,2-d][1,3]oxazin-2-one
  参考文献：
  名称：

  Cyclocarbamate and cyclic amide derivatives

  摘要：

  该发明提供了以下式子的化合物： 其中，A和B是独立的取代基，选择自S、CH或N；但是当A为S时，B为CH或N；当B为S时，A为CH或N；且A和B不能同时为CH；当A和B都等于N时，一个N可以选填一个C1到C6烷基；R1和R2是独立的取代基，选择自H、C1到C6烷基、取代的C1到C6烷基、C2到C6烯基、取代的C2到C6烯基、C2到C6炔基、取代的C2到C6炔基、C3到C8环烷基、取代的C3到C8环烷基、芳基、取代的芳基、杂环、取代的杂环、CORA或NRBCORA；或者R1和R2融合形成可选取代的3到8成员螺环烷基、烯基或杂环，其中杂环含有1到3个从O、S和N中选择的杂原子；或其药学上有用的盐。该发明的化合物可用作孕激素受体的激动剂和拮抗剂，在诱导避孕和治疗或预防良性或恶性肿瘤性疾病的方法中有用。

  公开号：

  US06441019B2

文献信息

• CONTRACEPTIVE COMPOSITIONS CONTAINING CYCLIC CARBAMATES AND AMIDE DERIVATIVES
  申请人：American Home Products Corporation

  公开号：EP1173253A1

  公开（公告）日：2002-01-23
• US6306851B1
  申请人：——

  公开号：US6306851B1

  公开（公告）日：2001-10-23
• US6441019B2
  申请人：——

  公开号：US6441019B2

  公开（公告）日：2002-08-27
• [EN] CONTRACEPTIVE COMPOSITIONS CONTAINING CYCLIC CARBAMATES AND AMIDE DERIVATIVES<br/>[FR] COMPOSITIONS CONTRACEPTIVES CONTENANT DES DERIVES D'AMIDES ET DES CARBAMATES CYCLIQUES
  申请人：AMERICAN HOME PROD

  公开号：WO2000066225A1

  公开（公告）日：2000-11-09

  This invention relates to cyclic combination therapies and regimens utilizing, in combination with progestins, estrogens, or both, substituted indoline derivative compounds which are antagonists of the progesterone receptor having general structure (I) wherein A and B are independent substituents selected from S, CH or N; provided that when A is S, B is CH or N; and when B is S, A is CH or N; and A and B cannot both be CH; and when A and B both equal N, one N may be optionally substituted with a C1 to C6 alkyl group; R1 and R2 are independent substituents selected from the group of H, C1 to C6 alkyl, substituted C1 to C6 alkyl, C2 to C6 alkenyl, substituted C2 to C6 alkenyl, C2 to C6 alkynyl, substituted C2 to C6 alkynyl, C3 to C8 cycloalkyl, substituted C3 to C8 cycloalkyl, aryl, substituted aryl, heterocyclic, substituted heterocyclic, COR?A, or NRBCORA; or R1 and R2¿ are fused to form optionally substituted 3 to 8 membered spirocyclic alkyl, alkenyl or heterocyclic ring, the heterocyclic ring containing one to three heteroatoms selected from the group of O, S and N; or pharmaceutically useful salts thereof. These methods of treatment may be used for contraception or for the treatment and/or prevention of secondary amenorrhea, dysfunctional bleeding, uterine leiomyomata, endometriosis; polycystic ovary syndrome, carcinomas and adenocarcinomas of the endometrium, ovary, breast, colon, prostate, or minimization of side effects or cyclic menstrual bleeding. Additional uses of the invention include stimulation of food intake.