3-isopropyltetronic acid | 113599-55-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 3-isopropyltetronic acid
• 英文别名: 3-isopropyl-furan-2,4-dione；3-Isopropyl-furan-2,4-dion；3-(Propan-2-yl)oxolane-2,4-dione；3-propan-2-yloxolane-2,4-dione
• CAS: 113599-55-6
• 化学式: C₇H₁₀O₃
• 分子量: 142.155
• InChiKey: ZLQOXKIXXXADFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-isopropyltetronic acid 、 6-(ethylenedioxy)-2α,3α-(isopropylidenedioxy)-5α-pregnan-20-one 在 lithium diisopropyl amide 作用下， 生成 4-hydroxy-5-((R)-1-hydroxy-1-((1S,3aS,3bS,5aS,6aS,9aR,10aR,10bS,12aS)-8,8,10a,12a-tetramethylhexadecahydrospiro[cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxole-5,2'-[1,3]dioxolan]-1-yl)ethyl)-3-isopropylfuran-2(5H)-one
  参考文献：
  名称：

  An improved synthesis of plant growth regulating steroid brassinolide and its congeners

  摘要：

  DOI：

  10.1021/jo00244a026
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 溴 作用下， 生成 3-isopropyltetronic acid
  参考文献：
  名称：

  Demarcay, Annales de Chimie (Cachan, France), 1880, vol. <5> 20, p. 462

  摘要：

  DOI：

文献信息

• VITAMIN D RECEPTOR MODULATORS
  申请人：Bunel Emilio Enrique

  公开号：US20090227604A1

  公开（公告）日：2009-09-10

  The present invention relates to novel, non-secosteroidal, diaryl compounds with vitamin D receptor (VDR) modulating activity that are less hypercalcemic than 1a,25 dihydroxy vitamin D3. These compounds are useful for treating bone disease and psoriasis.

  本发明涉及一种新的、非次级甾体、二芳基化合物，具有维生素D受体（VDR）调节活性，比1a,25二羟基维生素D3的高钙血症更少。这些化合物对治疗骨病和牛皮癣有用。
• DE844741
  申请人：——

  公开号：——

  公开（公告）日：——
• AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY
  申请人：Kugimiya Akira

  公开号：US20110028717A1

  公开（公告）日：2011-02-03

  The present invention creates an azaindole derivative having DP receptor antagonistic activity and a pharmaceutical composition comprising the said compound as an active ingredient, and further providing a therapeutic agent for treating allergic diseases. A compound of the general formula (I) wherein the ring A is an aromatic carbocyclic ring etc.; the ring B is a 3- to 8-membered nitrogen-containing non-aromatic heterocyclic ring etc.; the formula of —X 1 ═X 2 —X 3 ═X 4 — is a formula of —C(R 1 )═C(R 2 )—C(R 3 )═N— etc.; R 1 , R 2 , R 3 , R 4 and R 5 are independently a hydrogen atom or a halogen atom etc.; R 6 is optionally substituted C1-C6 alkyloxy etc.; R 7 is independently a halogen atom etc.; R 8 is optionally substituted C1-C6 alky etc.; R 9 is carboxy etc.; M is sulfonyl etc.; Y is a single bond etc.; L 1 , L 2 and L 3 are a single bond or alkylene optionally containing one or two heteroatoms etc.; n is 0 etc.; q is 0 etc.; a pharmaceutically acceptable salt or hydrate thereof.
• INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY
  申请人：KUGIMIYA Akira

  公开号：US20120142687A1

  公开（公告）日：2012-06-07

  The present invention provides an indolecarboxylic acid derivative having DP receptor antagonistic activity and a pharmaceutical composition comprising the said compound as an active ingredient, and further a therapeutic agent for treating allergic diseases. A compound of the general formula (I): wherein the ring A is an aromatic carbocyclic ring etc.; the ring B is a nitrogen-containing non-aromatic heterocyclic ring etc.; the formula of —X 1 ═X 2 —X 3 ═X 4 — is a formula of —C(R 1 )═C(R 2 )—C(R 3 )═C(R 4 )— etc.; X 5 is C(R 5 ) or N; R 1 , R 2 , R 3 , R 4 and R 5 is independently a hydrogen atom, a halogen atom etc; R 6 is a formula of —Z—R 10 etc. wherein Z is alkylene etc., and R 10 is carboxy etc.; R 7 is optionally substituted alkyloxy etc.; R 8 is independently a halogen atom etc.; R 9 is independently optionally substituted alkyl etc.; Y is a single bond etc.; n is 0 etc.; q is 0 etc.; a pharmaceutically acceptable salt or a solvate thereof.
• US20140275074A1
  申请人：——

  公开号：US20140275074A1

  公开（公告）日：2014-09-18