3-((6-chloro-2-naphthyl)sulfonyl)propionyl chloride | 701298-74-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-((6-chloro-2-naphthyl)sulfonyl)propionyl chloride
• 英文别名: 3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl chloride；3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl chloride
• CAS: 701298-74-0
• 化学式: C₁₃H₁₀Cl₂O₃S
• 分子量: 317.193
• InChiKey: ZWCBGIZZLNDESX-UHFFFAOYSA-N

物化性质

• 沸点：
  520.0±46.0 °C(Predicted)
• 密度：
  1.449±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-((6-chloro-2-naphthyl)sulfonyl)propionyl chloride 在 氢溴酸 、 碳酸氢钠 作用下， 以 氯仿 、 水 、 溶剂黄146 为溶剂， 反应 3.0h， 生成 (2Z)-5-(1-(3-((6-chloro-2-naphthyl)sulfonyl)propanoyl)-1-piperidinyl)-3-methyl-2-(methylimino)-2,3,4,5-tetrahydro-6H-pyrrolo[3,4-d][1,3]thiazol-6-one
  参考文献：
  名称：

  EP1669352

  摘要：

  公开号：
• 作为产物：
  描述：

  3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoic acid 在 氯化亚砜 作用下， 反应 1.0h， 生成 3-((6-chloro-2-naphthyl)sulfonyl)propionyl chloride
  参考文献：
  名称：

  磺酰基烷基酰胺的发现：新型的口服活性因子Xa抑制剂。

  摘要：

  Xa因子（FXa）是一种参与凝血级联反应的胰蛋白酶样丝氨酸蛋白酶，作为开发新型抗血栓药的潜在靶标已引起广泛关注。已发现大多数报道的am型FXa抑制剂显示出极差的口服生物利用度。化合物1是最早报道的非-型FXa抑制剂之一。为了发现新颖的口服活性FXa抑制剂，我们研究了6-氯萘环与1的1-（吡啶-4-基）哌啶部分之间的柔性线性接头，发现口服活性的磺酰基烷基酰胺2f与FXa IC（50）相同。 0.05 microM，与1相当。进一步的修饰以降低2f的CYP3A4抑制活性导致产生有力，选择性和口服活性的2-甲基吡啶类似物2s（FXa IC（50）为0.061 microM），CYP3A4抑制作用比2f显着减弱。化合物2s在食蟹猴中也显示出持久的抗凝活性。

  DOI：

  10.1016/j.bmc.2007.11.073

文献信息

• Imidazole derivative, process for producing the same, and use
  申请人：Kubo Keiji

  公开号：US20070004736A1

  公开（公告）日：2007-01-04

  There is provided an imidazole derivative useful as a thrombosis treating agent, which is represented by the formula (I): wherein R represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent linear hydrocarbon group, X represents an optionally substituted divalent hydrocarbon group, Y represents —CO—, —S(O)—, —S(O) 2 — or a bond, ring A represents an optionally substituted pyrrolidine ring, an optionally substituted piperidine ring or an optionally substituted perhydroazepine ring, Z 1 and Z 3 independently represent a bond or an optionally substituted divalent linear hydrocarbon group, Z 2 represents —N(R 1 )—, —O—, —S(O)—, —S(O) 2 —, —CO—, —CH(R 1 )— or a bond, ring B represents an optionally substituted imidazole ring, wherein a substituent which the optionally substituted imidazole ring represented by ring B may have may be taken together with R 1 to form an optionally substituted ring, and a represents 0, 1 or 2.

  提供了一种咪唑衍生物，用作治疗血栓的药物，其化学式表示为(I)式：其中R代表可选取代的环烃基或可选取代的杂环基，W代表键或可选取代的二价直链烃基，X代表可选取代的二价烃基，Y代表-CO-、-S(O)-、-S(O)2-或键，环A代表可选取代的吡咯烷环、可选取代的哌啶环或可选取代的过氢杂环己烷环，Z1和Z3独立地代表键或可选取代的二价直链烃基，Z2代表-N(R1)-、-O-、-S(O)-、-S(O)2-、-CO-、-CH(R1)-或键，环B代表可选取代的咪唑环，其中可选取代的咪唑环所具有的取代基可以与R1一起形成可选取代的环，a代表0、1或2。
• Thiazoline derivative and use of the same
  申请人：Kubo Keiji

  公开号：US20070010528A1

  公开（公告）日：2007-01-11

  A thiazoline derivative represented by Formula (I): wherein R is a cyclic hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted; X is a bond or a divalent chain hydrocarbon group which may be substituted; X′ is a bond or —N(R 5 )—; Y is a divalent hydrocarbon group which may be substituted; Y′ is a bond or —C(═O)—; ring A is a nitrogen-containing heterocycle which may be substituted; Z 1 and Z 3 are each independently a bond or a divalent chain hydrocarbon group which may be substituted; Z 2 is a bond or —N(R 6 )—; and B is a group represented by the formula: which is useful as a therapeutic drug for thrombosis, is provided.

  提供一种由式（I）表示的噻唑啉衍生物：其中R是环烃基，可以被取代，或者是可以被取代的杂环基; X是键或二价链烃基，可以被取代; X'是键或-N(R5)-; Y是二价烃基，可以被取代; Y'是键或-C(═O)-; 环A是含氮杂环，可以被取代; Z1和Z3各自独立地是键或二价链烃基，可以被取代; Z2是键或-N(R6)-; B是下式表示的基团：该化合物可用作治疗血栓症的药物。
• IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE
  申请人：KUBO Keiji

  公开号：US20110009389A1

  公开（公告）日：2011-01-13

  There is provided an imidazole derivative useful as a thrombosis treating agent, which is represented by the formula (I): wherein R represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent linear hydrocarbon group, X represents an optionally substituted divalent hydrocarbon group, Y represents —CO—, —S(O)—, —S(O) 2 — or a bond, ring A represents an optionally substituted pyrrolidine ring, an optionally substituted piperidine ring or an optionally substituted perhydroazepine ring, Z 1 and Z 3 independently represent a bond or an optionally substituted divalent linear hydrocarbon group, Z 2 represents —N(R 1 )—, —O—, —S(O)—, —S(O) 2 —, —CO—, —CH(R 1 )— or a bond, ring B represents an optionally substituted imidazole ring, wherein a substituent which the optionally substituted imidazole ring represented by ring B may have may be taken together with R 1 to form an optionally substituted ring, and a represents 0, 1 or 2.

  提供了一种咪唑衍生物，可用作治疗血栓的药物，其化学式表示为（I）：其中R代表可选取代的环烃基或可选取代的杂环基，W代表键或可选取代的二价线性烃基，X代表可选取代的二价烃基，Y代表-CO-，-S（O）-，-S（O）2-或键，环A代表可选取代的吡咯烷环，可选取代的哌啶环或可选取代的过氢化脂肪环，Z1和Z3独立地代表键或可选取代的二价线性烃基，Z2代表-N（R1）-，-O-，-S（O）-，-S（O）2-，-CO-，-CH（R1）-或键，环B代表可选取代的咪唑环，其中可选取代的咪唑环所代表的取代基可以与R1一起形成可选取代的环，a代表0，1或2。
• IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1564213A1

  公开（公告）日：2005-08-17

  There is provided an imidazole derivative useful as a thrombosis treating agent, which is represented by the formula (I): wherein R represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent linear hydrocarbon group, X represents an optionally substituted divalent hydrocarbon group, Y represents -CO-, -S(O)-, -S(O)2- or a bond, ring A represents an optionally substituted pyrrolidine ring, an optionally substituted piperidine ring or an optionally substituted perhydroazepine ring, Z1 and Z3 independently represent a bond or an optionally substituted divalent linear hydrocarbon group, Z2 represents -N(R1)-, -O-, - S(O)-, -S(O)2-, -CO-, -CH(R1)- or a bond, ring B represents an optionally substituted imidazole ring, wherein a substituent which the optionally substituted imidazole ring represented by ring B may have may be taken together with R1 to form an optionally substituted ring, and a represents 0, 1 or 2.

  提供了一种咪唑衍生物，可用作血栓治疗剂，其由式(I)表示： 其中 R 代表任选取代的环状烃基或任选取代的杂环基，W 代表键或任选取代的二价线性烃基，X 代表任选取代的二价烃基，Y 代表 -CO-、-S(O)-、-S(O)2- 或键，环 A 代表任选取代的吡咯烷环、任选取代的哌啶环或任选取代的全氢氮杂卓环、Z1 和 Z3 独立地代表键或任选取代的二价线性烃基，Z2 代表-N(R1)-、-O-、-S(O)-、-S(O)2-、-CO-、-CH(R1)- 或键，环 B 代表任选取代的咪唑环，其中环 B 所代表的任选取代的咪唑环可能具有的取代基可与 R1 一起形成任选取代的环，a 代表 0、1 或 2。
• THIAZOLINE DERIVATIVE AND USE OF THE SAME
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1669352A1

  公开（公告）日：2006-06-14

  A thiazoline derivative represented by Formula (I): wherein R is a cyclic hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted; X is a bond or a divalent chain hydrocarbon group which may be substituted; X' is a bond or -N(R5)-; Y is a divalent hydrocarbon group which may be substituted; Y' is a bond or -C(=O)-; ring A is a nitrogen-containing heterocycle which may be substituted; Z1 and Z3 are each independently a bond or a divalent chain hydrocarbon group which may be substituted; Z2 is a bond or -N(R6)-; and B is a group represented by the formula: which is useful as a therapeutic drug for thrombosis, is provided.

  式 (I) 所代表的噻唑啉衍生物： 其中 R 是可被取代的环烃基或可被取代的杂环基；X 是键或可被取代的二价链烃基；X'是键或-N(R5)-；Y 是可被取代的二价烃基；Y'是键或-C(=O)-； 环 A 是可被取代的含氮杂环； Z1 和 Z3 各自独立地是键或可被取代的二价链烃基； Z2 是键或-N(R6)-； 以及 B 是由式表示的基团： 本发明提供了一种可作为血栓形成治疗药物的药物。