4-甲脒基苯甲酰基氯化物 | 138109-35-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-甲脒基苯甲酰基氯化物
• 英文名称: p-amidino-benzoyl chloride
• 英文别名: 4-amidinobenzoyl chloride；4-Carbamimidoylbenzoyl chloride
• CAS: 138109-35-0
• 化学式: C₈H₇ClN₂O
• 分子量: 182.609
• InChiKey: TYEUEBYQZRRNTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-甲脒基苯甲酰基氯化物 生成 1-[2(R)-[1(R)-carboxy-2-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)ethyl]-3-cyclopentylpropionyl]piperidine
  参考文献：
  名称：

  Hydroxamic acid derivatives with tricyclic substitution for treating

  摘要：

  该发明提供了一般式为##STR1##的羟肟酸衍生物，其中R.sup.1代表环丙基，环丁基，环戊基或环己基；R.sup.2代表饱和的5-至8-成员单环或桥环N-杂环，该N-杂环通过N原子连接，当它是单环时，可选地包含NR.sup.4，O，S，SO或SO.sub.2作为环成员和/或在一个或多个C原子上可选地被羟基，较低烷基，较低烷氧基，氧代，酮化的氧代，氨基，单（较低烷基）氨基，二（较低烷基）氨基，羧基，较低烷氧羰基，羟甲基，较低烷氧甲基，氨基甲酰基，单（较低烷基）氨基甲酰基，二（较低烷基）氨基甲酰基或羟基亚胺基取代；R.sup.3代表5-或6-成员N-杂环，它（a）通过N原子连接，（b）可选地包含N，O和/或S，SO或SO.sub.2作为额外的环成员，（c）在与连接N原子相邻的一个或两个C原子上被氧代取代，（d）可选地苯并或在一个或多个其他C原子上被较低烷基或氧代取代，并且/或在任何额外的N原子上被较低烷基或芳基取代；R.sup.4代表氢，较低烷基，芳基，芳基烷基或保护基；m代表1或2，n代表1-4，它们的药学上可接受的盐，用于制造它们的中间体以及使用它们的方法。式I的化合物是胶原酶抑制剂，对于控制或预防退行性关节疾病如类风湿性关节炎和骨关节炎或治疗侵袭性肿瘤，动脉粥样硬化或多发性硬化症非常有用。

  公开号：

  US05710167A1
• 作为产物：
  描述：

  1-O,2-O-dibenzyl 1-O-tert-butyl (2R)-3-(cyclopenten-1-yl)-1-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]propane-1,1,2-tricarboxylate 以68的产率得到4-甲脒基苯甲酰基氯化物
  参考文献：
  名称：

  Tetrahedron 2001, 57, 7675-7683

  摘要：

  DOI：

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。
• Acetic acid derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US05726185A1

  公开（公告）日：1998-03-10

  Acetic acid derivatives of the formula ##STR1## wherein L, M, T and Q have the significance given in the description, can be used for the treatment or prophylaxis of illnesses which are caused by the binding of adhesive proteins to blood platelets and by blood platelet aggregation and cell-cell adhesion, and are manufactured by cleaving protecting groups in the corresponding protected compounds or by converting the cyano group into the amidino group in corresponding nitriles.

  公式为##STR1##的乙酸衍生物，其中L、M、T和Q的含义如描述中所示，可用于治疗或预防由粘附蛋白结合到血小板以及血小板聚集和细胞间黏附引起的疾病，并且可以通过裂解相应保护化合物中的保护基或将相应腈化合物中的氰基转化为氨基亚甲基基团来制造。
• Synthesis of 2-Acyl substituted chromanes and intermediates thereof
  申请人：——

  公开号：US20030233002A1

  公开（公告）日：2003-12-18

  Novel processes for producing enantiomerically enriched and enantiomerically pure compositions of 2-acyl substituted chromane compounds, and 2-acylchromane compounds that are intermediates for producing platelet aggregation inhibitors and/or are themselves potent platelet aggregation inhibitors are disclosed. Further disclosed are processes for producing salts such as acid addition salts for such enantiomerically enriched compositions.

  本发明揭示了用于生产富含对映体和对映纯2-酰基取代基色酮化合物的新工艺，以及用于生产血小板聚集抑制剂的中间体2-酰基色酮化合物和/或它们本身是有效的血小板聚集抑制剂的工艺。还揭示了用于生产酸盐等对这些富含对映体的成分的工艺。
• Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor
  申请人：——

  公开号：US20040053992A1

  公开（公告）日：2004-03-18

  Disclosed are process steps and novel processes for producing chromane compositions enriched in at least one (2R or 2S) enantiomer, preferably chroman-2-yl carboxylic acid compounds and chroman-2-yl carboxylic acid esters which are intermediates for producing platelet aggregation inhibitors and/or are themselves potent platelet aggregation inhibitors. Further disclosed are enzymatic processes for resolving chiral intermediates or final products to provide desired enantiomers.

  揭示了生产富含至少一种(2R或2S)对映体的香豆素组合物的工艺步骤和新型工艺，优选为香豆素-2-基羧酸化合物和香豆素-2-基羧酸酯，它们是生产血小板聚集抑制剂的中间体和/或本身是有效的血小板聚集抑制剂。进一步揭示了用于解析手性中间体或最终产品以提供所需对映体的酶促过程。
• 2-piperazinone compounds and their use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05550131A1

  公开（公告）日：1996-08-27

  Compounds of the formula ##STR1## wherein A represents amidino group or an optionally substituted aminoethyl; R.sup.10 represents one species selected from a group consisting of nitro group, a halogen atom, a lower alkenyl group, a lower alkynyl group, a lower alkyloxycarbonyl group and a group represented by the formula OR.sup.11 (wherein R.sup.11 is hydrogen atom or a lower alkyl group, a lower alkenyl group, a lower alkynyl group, a lower alkanoyl group, a carbamoyl group or a methanesulfonyl group, each of which may be substituted; R.sup.12 and R.sup.13 respectively represent hydrogen atom, hydroxyl group, a lower alkoxy group or a halogen atom; X represents hydroxyl group, p-hydroxyphenyl group or an optionally esterified or amidated carboxyl group; Y represents an optionally esterified or amidated carboxyl group; and n denotes 1 or 2, or a salt thereof and an agent for inhibiting adhesion of cells which comprise these compounds are desclosed. These have more potent and long lasting activities of inhibiting cell-adhesion, thus being useful as an orally administrable anti-thrombotic agent.

  该公式化合物为##STR1##其中A代表酰胺基团或可选择取代的氨基乙基；R.sup.10代表从硝基、卤素原子、较低的烯基基团、较低的炔基基团、较低的烷氧羰基团和由OR.sup.11（其中R.sup.11为氢原子或较低的烷基基团、较低的烯基基团、较低的炔基基团、较低的烷酰氧基团、羰基基团或甲磺酰基团，每个基团都可以被取代）表示的基团中选择的一种物种；R.sup.12和R.sup.13分别代表氢原子、羟基、较低的烷氧基团或卤素原子；X代表羟基、对羟基苯基基团或可酯化或酰化的羧基团；Y代表可酯化或酰化的羧基团；n表示1或2，或其盐和包含这些化合物的细胞黏附抑制剂的代理物被公开。这些化合物具有更强大和持久的抑制细胞黏附活性，因此可用作口服抗血栓药物。