Trinitrochlorobenzene | 242477-63-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Trinitrochlorobenzene
• 英文别名: 1-chloro-2,3,4-trinitro-benzene；1-Chlor-2,3,4-trinitro-benzol；Benzene, chlorotrinitro-；1-chloro-2,3,4-trinitrobenzene
• CAS: 242477-63-0
• 化学式: C₆H₂ClN₃O₆
• 分子量: 247.551
• InChiKey: SRYLRVUJDQTFDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Trinitrochlorobenzene 在 乙醇 、 氨 作用下， 生成 3-氯-2,6-二硝基-苯胺
  参考文献：
  名称：

  van de Vliet, Recueil des Travaux Chimiques des Pays-Bas, 1924, vol. 43, p. 623

  摘要：

  DOI：
• 作为产物：
  描述：

  二硝基苯胺 在 nitrosylsulfuric acid 、 硫酸 、 硝酸 作用下， 生成 Trinitrochlorobenzene
  参考文献：
  名称：

  van de Vliet, Recueil des Travaux Chimiques des Pays-Bas, 1924, vol. 43, p. 623

  摘要：

  DOI：

文献信息

• Pyrimidine hydantoin analogues which inhibit leukocyte adhesion mediated by VLA-4
  申请人：Konradi W. Andrei

  公开号：US20050261324A1

  公开（公告）日：2005-11-24

  Disclosed are compounds which bind VLA-4 and/or LPAM-1. Certain of these compounds also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by VLA-4 and/or LPAM-1. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  披露了与VLA-4和/或LPAM-1结合的化合物。其中某些化合物还能抑制白细胞粘附，尤其是VLA-4和/或LPAM-1介导的白细胞粘附。这类化合物可用于治疗哺乳动物患者，如人类的炎症性疾病，例如哮喘、阿尔茨海默病、动脉粥样硬化、艾滋病痴呆、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。这些化合物也可用于治疗炎症性脑病，如多发性硬化症。
• [EN] PHENYLALANINE ENAMIDE DERIVATIVES<br/>[FR] DERIVES DE PHENYLALANINE ENAMIDE
  申请人：CELLTECH R&D LTD

  公开号：WO2004007494A1

  公开（公告）日：2004-01-22

  Phenylalanine enamide derivatives of formula (1) are described, wherein R1 is a -CH(CH3)2, -(CH2)2CH3; -CH2C(CH3)3, -CH2CH2OH, -CH2CH2OCH3, -CH2CH2OCH2CH2OH, -CH2CH2OCH2CH2OCH3, formula (A) group; and the salts, solvates and N-oxides thereof. Compounds according to the invention are potent and selective inhibitors of α4 integrins. The compounds are of use in modulating cell adhesion and in particular are of use in the prophylaxis and treatment of diseases or disorders including inflammation in which the extravasation of leukocytes plays a role and the invention extends to such a use and to the use of the compounds for the manufacture of a medicament for treating such diseases or disorders.

  公式（1）中描述了苯丙氨酸烯酰胺衍生物，其中R1为-CH(CH3)2，-(CH2)2 ；- C( )3，- OH，- O ，- O OH，- O O ，公式（A）基团；以及它们的盐、溶剂合物和N-氧化物。根据本发明的化合物是α4整合素的有效和选择性抑制剂。这些化合物可用于调节细胞粘附，特别是可用于预防和治疗包括白细胞外渗在内的炎症等疾病或紊乱，本发明还涉及这种用途以及用于制造用于治疗此类疾病或紊乱的药物的化合物的用途。
• [EN] PHENYLALANINE ENAMIDE DERIVATIVES CONTAINING A SPIRO`3.5!NON-1-ENE RING FOR USE AS INTEGRIN INHIBITORS<br/>[FR] DERIVES DE PHENYLALANINE ENAMIDE CONTENANT UN NOYAU DE SPIRO[3.5]NON-1-ENE ET DESTINES A ETRE UTILISES COMME INHIBITEURS DE L'INTEGRINE
  申请人：CELLTECH R&D LTD

  公开号：WO2004006918A1

  公开（公告）日：2004-01-22

  Phenylalanine enamide derivatives of formula (1) are described: wherein R1 is a -CH3, -(CH2)3CH3, -CH2CH20H, -CH2CH20CH3, -CH2CH20CH2CH20H, -CH2CH20CH2CH20CH3, Formula (II) group; and the salts, solvates and N-oxides thereof. Compounds according to the invention are potent and selective inhibitors of oA integrins. The compounds are of use in modulating cell adhesion and in particular are of use in the prophylaxis and treatment of diseases or disorders including inflammation in which the extravasation of leukocytes plays a role and the invention extends to such a use and to the use of the compounds for the manufacture of a medicament for treating such diseases or disorders.

  公式（1）中描述了苯丙氨酸烯酰衍生物：其中R1是-CH3，-(CH2)3 ，- 0H，- 0 ，- 0 0H，- 0 0 ，公式（II）基团；以及它们的盐、溶剂合物和N-氧化物。根据本发明的化合物是oA整合素的有效和选择性抑制剂。这些化合物在调节细胞粘附方面有用，特别是在预防和治疗包括白细胞外渗在内的炎症等疾病或紊乱方面有用，本发明还涉及这种用途以及用于制造用于治疗这类疾病或紊乱的药物的化合物的用途。
• Enamine derivatives
  申请人：——

  公开号：US20020037909A1

  公开（公告）日：2002-03-28

  Enamine derivatives of formula (1) are described: 1 wherein R 1 is a group Ar 1 L 2 Ar 2 Alk- in which Ar 1 is an aromatic or heteroaromatic group, L 2 is a covalent bond or a linker atom or group, Ar 2 is an arylene or heteroarylene group and Alk is a chain —CH 2 —CH(R)—, —CH═C(R)— or 2 in which R is a carboxylic acid or a derivative or biostere thereof; R 2 is a hydrogen atom or a C 1-6 alkyl group; Cy is a cycloaliphatic or heterocycloaliphatic ring in which X is a N atom or a C(R w ) group; R x is a oxo, thioxo, or imino group; R w and R z is each a hydrogen atom or optional substituent; provided that Cy is not a cyclobutenedione group; and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immune or inflammatory disorders, or disorders involving the inappropriate growth or migration of cells.

  描述了公式（1）的Enamine衍生物：其中R1是Ar1L2Ar2Alk-中的一个基团，其中Ar1是芳香族或杂环芳基，L2是共价键或连接原子或基团，Ar2是芳基或杂环芳基，Alk是链—CH2—CH（R）—，—CH═C（R）—或其中R是羧酸或其衍生物或生物类似物；R2是氢原子或C1-6烷基基团；Cy是环脂环或杂环脂环，其中X是N原子或C（Rw）基团；Rx是氧化、硫代氧化或亚胺基团；Rw和Rz分别是氢原子或可选取代基；前提是Cy不是环丁二酮基团；以及它们的盐、溶剂合物、水合物和N-氧化物。这些化合物能够抑制整合素与其配体的结合，并可用于预防和治疗免疫或炎症性疾病，或涉及细胞异常生长或迁移的疾病。
• Methods of Using BTK Inhibitors to Treat Dermatoses
  申请人：Acerta Pharma B.V.

  公开号：US20180318304A1

  公开（公告）日：2018-11-08

  In certain embodiments, the invention includes therapeutic methods of using a BTK inhibitor to treat dermatoses, such as psoriasis, atopic dermatitis, contact dermatitis, scleroderma, and cutaneous lupus erythematosus. In other embodiments, the methods of the invention further comprise the step of administering a therapeutically effective dose of an anti-inflammatory agent.

  在某些实施例中，该发明包括使用BTK抑制剂治疗皮肤病的治疗方法，如银屑病、特应性皮炎、接触性皮炎、硬皮病和皮肤红斑狼疮。在其他实施例中，该发明的方法进一步包括给予抗炎药物的治疗有效剂量的步骤。