(E)-3-(1-(2,4-dichlorobenzyl)-1H-indazol-3-yl)acrylic acid | 252025-48-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: (E)-3-(1-(2,4-dichlorobenzyl)-1H-indazol-3-yl)acrylic acid
• 英文别名: AF-2785；2-Propenoic acid, 3-(1-((2,4-dichlorophenyl)methyl)-1H-indazol-3-yl)-；(E)-3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
• CAS: 252025-48-2
• 化学式: C₁₇H₁₂Cl₂N₂O₂
• 分子量: 347.2
• InChiKey: JXBHFVLHFJMKPK-BQYQJAHWSA-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：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (2-氯苯基)氧代乙酸甲酯 在 哌啶 、 吡啶 、 甲醇 、 manganese(IV) oxide 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium tetrahydroborate 、 potassium carbonate 、 caesium carbonate 作用下， 以 二氯甲烷 、 二甲基亚砜 、 异丙醇 为溶剂， 反应 6.33h， 生成 (E)-3-(1-(2,4-dichlorobenzyl)-1H-indazol-3-yl)acrylic acid
  参考文献：
  名称：

  Total Syntheses of AF-2785 and Gamendazole—Experimental Male Oral Contraceptives

  摘要：

  Both AF-2785 and gamendazole are experimental male oral contraceptives. The total syntheses of these two compounds are achieved in good yields. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2012.696306

文献信息

• Lonidamine analogs
  申请人：Matteucci Mark

  公开号：US20070015771A1

  公开（公告）日：2007-01-18

  Lonidamine analogs are useful in the treatment and prevention of cancer, benign prostatic hyperplasia, macular degeneration and prostatic intraepithelial neoplasia, or for use as an antispermatigenic agent.

  Lonidamine类似物在治疗和预防癌症、良性前列腺增生、黄斑变性和前列腺上皮内瘤变方面非常有用，或者用作抗精子生成剂。
• LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT
  申请人：Georg Ingrid Gunda

  公开号：US20110060003A1

  公开（公告）日：2011-03-10

  Fertility management can include: administering to the subject one or more doses of a compound according to Formula I so as to reduce fertility in the subject. Fertility management can also include administering an effective amount of the compound to: impair Sertoli cell function in a male subject; inhibit spermatogenesis in the subject; reduce testis weight in the subject; reduce ovary weight in a female subject; reduce serum progesterone in the female subject; impair ovarian follicle function in the female subject; causing reversible fertility in the subject. In order to return fertility, the method can include ceasing administration of the compound to the subject so as to return fertility in the subject. The compound can be administered for irreversibly sterilizing the subject.

  生育管理可以包括：根据公式I的一个或多个剂量给予受试者一种化合物，以降低受试者的生育能力。生育管理还可以包括给予化合物的有效量：破坏雄性受试者的精原细胞功能；抑制受试者的精子生成；减少受试者的睾丸重量；减少雌性受试者的卵巢重量；减少雌性受试者的血清孕酮；破坏雌性受试者的卵巢滤泡功能；导致受试者可逆的生育能力。为了恢复生育能力，该方法可以包括停止给予化合物以使受试者恢复生育能力。该化合物可以用于对受试者进行不可逆的绝育。
• US6001865A
  申请人：——

  公开号：US6001865A

  公开（公告）日：1999-12-14
• US8377958B2
  申请人：——

  公开号：US8377958B2

  公开（公告）日：2013-02-19
• Total Syntheses of AF-2785 and Gamendazole—Experimental Male Oral Contraceptives
  作者：Arava Veerareddy、Gogireddy Surendrareddy、P. K. Dubey

  DOI：10.1080/00397911.2012.696306

  日期：2013.8.18

  Both AF-2785 and gamendazole are experimental male oral contraceptives. The total syntheses of these two compounds are achieved in good yields. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.