DTP2 | 308795-79-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: DTP2
• 英文别名: (1R,4aR,8R,8aS,10aS)-8-ethenyl-1,4a,8-trimethyl-3,4,6,7,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
• CAS: 308795-79-1
• 化学式: C₂₀H₃₀O₂
• 分子量: 302.457
• InChiKey: MBELKWLMKCFMAD-YANNOABASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  DTP2 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以100%的产率得到
  参考文献：
  名称：

  WO2007/15757

  摘要：

  公开号：
• 作为产物：
  描述：

  DTP3 在 sodium chlorite 、 sodium dihydrogenphosphate 、 2-甲基-2-丁烯 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 、 水 、 叔丁醇 为溶剂， 反应 4.0h， 生成 DTP2
  参考文献：
  名称：

  二萜新家族的合成及其作为抗炎药的评价。

  摘要：

  介绍了由结构2和3代表的新的二萜家族的合成和生物学评估。这些化合物构成了棘酸（1）的异构体类似物，并被视作有效的抗炎药。其中，甲酯12显示出低的非特异性细胞毒性，抑制了TNF-α的合成，并且在抑制细胞因子表达方面显示出良好的特异性。

  DOI：

  10.1016/s0960-894x(03)00669-3

文献信息

• Interleukin-1 and tumor necrosis factors-&agr; modulators, syntheses of said modulators and methods of using modulators
  申请人：Nereus Pharmaceuticals, Inc.

  公开号：US06365768B1

  公开（公告）日：2002-04-02

  Novel compounds are disclosed that have the chemical structure of Formula (IIB), and its prodrug esters and acid-addition salts, and that are useful as Interleukin-1 and Tumor Necrosis Factor-&agr; modulators, and thus are useful in the treatment of various diseases. wherein the R groups include the following: R1 is selected from the group consisting of hydrogen, a halogen, COOH, C1-C12 carboxylic acids, C1-C12 acyl halides, C1-C12 acyl residues, C1-C12 esters, C1-C12 secondary amides, (C1-C12)(C1-C12) tertiary amides, C1-C12 alcohols, (C1-C12)( C1-C12) ethers, C1-C12 alkyls, C1-C12 substituted alkyls, C2-C12 alkenyls, C2-C12 substituted alkenyls; R2 is selected from hydrogen, a halogen, C1-C12 alkyl, C1-C12 substituted alkyls, C2-C12 alkenyl, C2-C12 substituted alkenyl, C2-C12 alkynyl, and C1-C12 acyl, and C5-C12 aryl. R3, R4, R5, R7, R8, and R11-R13 are each separately selected from hydrogen, a halogen, C1-C12 alkyl, C1-C12 substituted alkyls, C2-C12 alkenyl, C2-C12 substituted alkenyl, C2-C12 alkynyl, and C5-C12 aryl. R6 is selected from hydrogen, a halogen, C1-C12 alkyls, C1-C12 substituted alkyls, C2-C12 alkenyls, C2-C12 substituted alkenyl and C2-C12 alkynyl. R10 is selected from hydrogen, a halogen, CH2, C1-C6 alkyl, C1-C6 substituted alkyl, C2-C6 alkenyl, C2-C6 substituted alkenyl, C1-C12 alcohol, and C5-C12 aryl.

  揭示了具有化学结构为Formula (IIB)的新化合物，以及其前药酯和酸加成盐，这些化合物可用作白细胞介素-1和肿瘤坏死因子-α调节剂，因此在治疗各种疾病中很有用。 其中R基团包括以下内容：R1选自氢、卤素、COOH、C1-C12羧酸、C1-C12酰卤、C1-C12酰基、C1-C12酯、C1-C12次酰胺、(C1-C12)(C1-C12)三级酰胺、C1-C12醇、(C1-C12)(C1-C12)醚、C1-C12烷基、C1-C12取代烷基、C2-C12烯基、C2-C12取代烯基；R2选自氢、卤素、C1-C12烷基、C1-C12取代烷基、C2-C12烯基、C2-C12取代烯基、C2-C12炔基和C1-C12酰基、以及C5-C12芳基。R3、R4、R5、R7、R8和R11-R13分别选自氢、卤素、C1-C12烷基、C1-C12取代烷基、C2-C12烯基、C2-C12取代烯基、C2-C12炔基和C5-C12芳基。R6选自氢、卤素、C1-C12烷基、C1-C12取代烷基、C2-C12烯基、C2-C12取代烯基和C2-C12炔基。R10选自氢、卤素、CH2、C1-C6烷基、C1-C6取代烷基、C2-C6烯基、C2-C6取代烯基、C1-C12醇和C5-C12芳基。
• Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators
  申请人：Palladino Michael A.

  公开号：US20080064753A1

  公开（公告）日：2008-03-13

  Described herein are chemical compounds and pharmaceutical compositions, including novel chemical compounds and pharmaceutical compositions thereof, useful in the treatment of various diseases and disease states. Also described are methods of synthesizing natural products and novel, structurally-related chemical compounds. More particularly, disclosed are new analogs of and processes for the preparation of compounds and pharmaceutical compositions thereof useful in the treatment of, for example, inflammation, cancer, multiple myeloma, cachexia, cardiovascular disease, anti-infectious, diabetes, otitis media, sinusitis and transplant rejection.

  本文描述了一些化合物和药物组合物，包括新颖的化合物和药物组合物，它们可用于治疗各种疾病和疾病状态。同时，还描述了合成天然产物和新的、结构相关的化合物的方法。更具体地，披露了新的模拟物和制备它们的化合物和药物组合物的过程，这些化合物和药物组合物可用于治疗炎症、癌症、多发性骨髓瘤、消瘦症、心血管疾病、抗感染、糖尿病、中耳炎、鼻窦炎和移植排斥等疾病。
• INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS
  申请人：Palladino Michael A.

  公开号：US20110160309A1

  公开（公告）日：2011-06-30

  Described herein are chemical compounds and pharmaceutical compositions, including novel chemical compounds and pharmaceutical compositions thereof, useful in the treatment of various diseases and disease states. Also described are methods of synthesizing natural products and novel, structurally-related chemical compounds. More particularly, disclosed are new analogs of and processes for the preparation of compounds and pharmaceutical compositions thereof useful in the treatment of, for example, inflammation, cancer, multiple myeloma, cachexia, cardiovascular disease, anti-infectious, diabetes, otitis media, sinusitis and transplant rejection.

  本文描述了化学化合物和药物组合物，包括新型化学化合物和药物组合物，用于治疗各种疾病和疾病状态。还描述了合成天然产物和新的结构相关化学化合物的方法。更具体地，披露了用于治疗炎症、癌症、多发性骨髓瘤、消瘦、心血管疾病、抗感染、糖尿病、中耳炎、鼻窦炎和移植排斥等疾病的化合物和药物组合物的新类似物和制备方法。
• INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-A MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS
  申请人：Nereus Pharmaceuticals, Inc.

  公开号：EP1912932B1

  公开（公告）日：2012-05-02
• Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators
  申请人：Palladino Michael

  公开号：US20080103328A1

  公开（公告）日：2008-05-01

  Novel compounds are disclosed that have the following chemical structures, and prodrug esters and acid-addition salts thereof, that are useful as Interleukin-1 and Tumor Necrosis Factor-α modulators, and thus are useful in the treatment of various diseases. wherein the R groups are defined as follows: if any R 3 -R 5 , R 7 , R 8 , R 11 -R 13 is not hydrogen, R 2 or R 6 or R 9 is not methyl, or R 10 is not CH 2 , then R 1 is selected from the group consisting of hydrogen, a halogen, COOH, C 1 -C 12 carboxylic acids, C 1 -C 12 acyl halides, C 1 -C 12 acyl residues, C 1 -C 12 esters, C 1 -C 12 secondary amides, (C 1 -C 12 )(C 1 -C 12 ) tertiary amides, (C 1 -C 12 )(C 1 -C 12 ) cyclic amides, (C 1 -C 12 ) amines, C 1 -C 12 alcohols, (C 1 -C 12 )(C 1 -C 12 ) ethers, C 1 -C 12 alkyls, C 1 -C 12 substituted alkyls, C 2 -C 12 alkenyls, C 2 -C 12 substituted alkenyls, and C 5 -C 12 aryls. If all R 3 -R 5 , R 7 , R 8 , R 11 -R 13 are hydrogen, R 2 , R 6 , and R 9 are each methyl, and R 10 is CH 2 , then R 1 is selected from hydrogen, a halogen, C 1 -C 12 carboxylic acids, C 1 -C 12 acyl halides, C 1 -C 12 acyl residues, C 2 -C 12 esters, C 2 -C 12 secondary amides, (C 1 -C 12 )(C 1 -C 12 ) tertiary amides, C 2 -C 12 alcohols, (C 1 -C 12 )(C 1 -C 12 ) ethers other than methyl-acetyl ether, C 2 -C 12 alkyls, C 1 -C 12 substituted alkyls, C 2 -C 12 alkenyls, C 2 -C 12 substituted alkenyls, and C 2 -C 12 aryls. R 2 and R 9 are each separately selected from hydrogen, a halogen, C 1 -C 12 alkyl, C 1 -C 12 substituted alkyls, C 2 -C 12 alkenyl, C 2 -C 12 substituted alkenyl, C 2 -C 12 alkynyl, C 1 -C 12 acyl, C 1 -C 12 alcohol, and C 5 -C 12 aryl. R 3 -R 5 , R 7 , R 8 , and R 11 -R 13 are each separately selected from hydrogen, a halogen, C 1 -C 12 alkyl, C 1 -C 12 substituted alkyls, C 2 -C 12 alkenyl, C 2 -C 12 substituted alkenyl, C 2 -C 12 alkynyl, and C 5 -C 12 aryl. R 6 is selected from hydrogen, a halogen, C 1 -C 12 alkyl, C 1 -C 12 substituted alkyls, C 2 -C 12 alkenyl, C 2 -C 12 substituted alkenyl, and C 2 -C 12 alkynyl. R 10 is selected from hydrogen, a halogen, CH 2 , C 1 -C 6 alkyl, C 1 -C 6 substituted alkyl, C 2 -C 6 alkenyl, C 2 -C 6 substituted alkenyl, C 1 -C 12 alcohol, and C 5 -C 12 aryl. Pharmaceutical compositions comprising, and uses of, therapeutically effective amounts of the above compounds and their prodrug esters, and a pharmaceutically acceptable carrier, are also disclosed, and are useful as, for example, anti-inflammatory analgesics, in treating immune disorders, as anti-cancer and anti-tumor agents, and in the treatment of cardiovascular disease, skin redness, and viral infection. Completely synthetic and semi-synthetic methods of making these compounds and their analogs, are also disclosed.