7-氯萘-2-磺酰氯 | 102153-64-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 7-氯萘-2-磺酰氯
• 英文名称: 7-chloronaphthalene-2-sulfonyl chloride
• 英文别名: 7-chlornaphthalene-2-sulfonyl chloride；7-chloro-naphthalene-2-sulfonyl chloride；7-Chlor-naphthalin-2-sulfonylchlorid
• CAS: 102153-64-0
• 化学式: C₁₀H₆Cl₂O₂S
• mdl: MFCD04037081
• 分子量: 261.128
• InChiKey: XZHQZGPVPIOPFH-UHFFFAOYSA-N

物化性质

• 沸点：
  402.9±20.0 °C(Predicted)
• 密度：
  1.516±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-氯萘-2-磺酰氯 在 盐酸 、 氨 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 32.0h， 生成 3-[(S)-3-(7-Chloro-naphthalene-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine
  参考文献：
  名称：

  Design and Structure−Activity Relationships of Potent and Selective Inhibitors of Blood Coagulation Factor Xa

  摘要：

  The discovery of a series of non-peptide factor Xa (FXa) inhibitors incorporating 3-(S)-amino-2-pyrrolidinone as a central template is described. After identifying compound 4, improvements in in vitro potency involved modifications of the liphophilic group and optimizing the angle of presentation of the amidine group to the S1 pocket of FXa. These studies ultimately led to compound RPR120844, a potent inhibitor of FXa (Ki = 7 nM) which shows selectivity for FXa over trypsin, thrombin, and several fibrinolytic serine proteinases. RPR120844 is an effective anticoagulant in both the rat model of FeCl2-induced carotid artery thrombosis and the rabbit model of jugular vein thrombus formation.

  DOI：

  10.1021/jm990040h
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 五氯化磷 作用下， 生成 7-氯萘-2-磺酰氯
  参考文献：
  名称：

  Certain Dichloronaphthalenes and Related Intermediates

  摘要：

  DOI：

  10.1021/ja01331a037

文献信息

• Sulfonamide derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06359134B1

  公开（公告）日：2002-03-19

  The present invention provides compounds which specifically inhibit FXa, which are effective when orally administered and which are useful as a safe medicine for the prevention or treatment of diseases caused by thrombus or infarction. Compounds of this invention are piperazinones of the formula: wherein R1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group; the ring A is an optionally substituted divalent nitrogen-containing heterocyclic group, in addition to being substituted by the group of the formula: and the group of the formula: Y is an optionally substituted divalent hydrocarbon group or an optionally substituted divalent heterocyclic group; X is a direct bond or an optionally substituted alkylene chain; Z is (1) an amino group substituted with an optionally substituted hydrocarbon group, (2) an optionally substituted imino group or (3) an optionally substituted nitrogen-containing heterocyclic group; provided that when X is a direct bond and Z is an optionally substituted 6-membered nitrogen-containing aromatic heterocyclic group, Y is an optionally substituted divalent hydrocarbon group or an optionally substituted divalent unsaturated heterocyclic group; or a salt thereof.

  本发明提供了一种化合物，该化合物特异性地抑制FXa，口服给药有效，并且用作预防或治疗由血栓或梗死引起的疾病的药物是安全的。本发明的化合物是哌嗪酮的公式： 其中R1是可选地取代的烃基或可选地取代的杂环基；环A是除了被公式：的基团取代的之外的可选地取代的二价含氮杂环基： 和公式的基团： Y是可选地取代的二价烃基或可选地取代的二价杂环基；X是直接键或可选地取代的亚烷基链；Z是（1）与可选地取代的烃基取代的氨基，（2）可选地取代的亚氨基或（3）可选地取代的含氮杂环基；当X是直接键并且Z是可选地取代的6-成员含氮芳香杂环基时，Y是可选地取代的二价烃基或可选地取代的二价不饱和杂环基；或其盐。
• Sulfone derivatives, process for their production and use thereof
  申请人：——

  公开号：US20030187023A1

  公开（公告）日：2003-10-02

  A compound represented by the formula: 1 wherein R is a cyclic hydrocarbon group, or the like; W is a bond, or the like; X is a divalent hydrocarbon group, or the like; Y and Z are each independently —N(R 6 )— or the like; ring A is a nitrogen-containing heterocyclic ring, or the like; R5 and R6 are independently hydrogen atom, a hydrocarbon group, or the like; Z′ is imidoyl group, or the like; a is 0, 1 or 2; and b is 0 or 1, or a salt thereof.

  一个由以下式表示的化合物： 其中R是一个环烃基团，或类似物；W是一个键，或类似物；X是一个二价碳氢基团，或类似物；Y和Z分别独立地为—N(R6)—或类似物；环A是一个含氮杂环环，或类似物；R5和R6独立地为氢原子、一个碳氢基团，或类似物；Z′是亚胺基团，或类似物；a为0、1或2；b为0或1，或其盐。
• SULPHONAMIDE DERIVATIVES OF ALICYCLIC AMINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES
  申请人：Kolaczkowski Marcin

  公开号：US20140135310A1

  公开（公告）日：2014-05-15

  Sulphonamide derivatives of alicyclic amines of formula (I), wherein A represents naphthyl or 9- or 10-membered bicyclic group, consisting of benzene ring fused with 5- or 6-membered heterocyclic ring; D represents phenyl, naphthyl, 5-membered aromatic heterocyclic group, bicyclic group consisting of a ring selected from benzene and pyridine, fused with aromatic or non-aromatic 5-membered heterocyclic ring; p, r independently represent 0 or 1; x, z independently represent 1 or 2; n is 2 or 3; and enancjomers, pharmaceutically acceptable salts and solvates thereof. The compounds may be useful for the treatment and/or prevention of the central nervous system disorders.

  环脂肪胺的磺胺衍生物的化学式(I)，其中A代表萘基或9-或10-成员双环基团，由苯环与5-或6-成员杂环环融合而成；D代表苯基，萘基，5-成员芳香杂环基团，由苯环和吡啶中选择的环融合而成，与芳香或非芳香5-成员杂环环融合；p，r独立地代表0或1；x，z独立地代表1或2；n为2或3；其对映体，药学上可接受的盐及溶剂化合物。这些化合物可能对中枢神经系统疾病的治疗和/或预防有用。
• Discovery of sulfonylalkylamides: A new class of orally active factor Xa inhibitors
  作者：Yasuhiro Imaeda、Toshio Miyawaki、Hiroki Sakamoto、Fumio Itoh、Noriko Konishi、Katsuhiko Hiroe、Masaki Kawamura、Toshimasa Tanaka、Keiji Kubo

  DOI：10.1016/j.bmc.2007.11.073

  日期：2008.3

  cascade and has received great interest as a potential target for the development of new antithrombotic agents. Most of amidine-type FXa inhibitors reported have been found to show extremely poor oral bioavailability. Compound 1 is one of the first reported non-amidine type FXa inhibitors. To discover novel and orally active FXa inhibitors, we investigated flexible linear linkers between the 6-chloronaphthalene

  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。
• Acylhydrazine derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06723722B1

  公开（公告）日：2004-04-20

  Novel acylhydrazine derivatives exhibiting an inhibitory activity against activated blood coagulation factor X, which are compounds of general formula (I) or salts thereof, wherein R is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group; R1 and R2 are each hydrogen or optionally substituted hydrocarbyl, or alternatively R1 and R2 or the substituent of X1 and R2 may be united to form an optionally substituted ring; X1 and X2 are each free valency, optionally substituted alkylene, or optionally substituted imino; D is oxygen or sulfur; A is —N(R3)—Y— or —N═Y—, R3 is hydrogen, optionally substituted hydrocarbyl, or acyl; Y is an optionally substituted chain hydrocarbon group or an optionally substituted cyclic group; and Z is (1) optionally substituted amino, (2) optionally substituted imidoyl, or (3) an optionally substituted nitrogenous heterocycle group.

  具有抑制活化血凝因子X抑制活性的新型酰肼衍生物，其为一般式(I)或其盐的化合物，其中R为可选取代的碳氢基团或可选取代的杂环基团；R1和R2分别为氢或可选取代的碳氢基团，或者R1和R2或X1的取代基和R2可以结合形成可选取代的环；X1和X2分别为自由价、可选取代的烷基或可选取代的亚胺基；D为氧或硫；A为-N(R3)-Y-或-N═Y-，其中R3为氢、可选取代的碳氢基团或酰基；Y为可选取代的链烃基团或可选取代的环状基团；Z为(1)可选取代的氨基、(2)可选取代的亚氨基或(3)可选取代的含氮杂环基团。