(Z)-3-chloro-3-phenylacrylonitrile | 78583-84-3

• 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: (Z)-3-chloro-3-phenylacrylonitrile
• 英文别名: 3-Chloro-3-phenyl-acrylonitrile；(Z)-3-chloro-3-phenylprop-2-enenitrile
• CAS: 78583-84-3
• 化学式: C₉H₆ClN
• 分子量: 163.606
• InChiKey: GVKYEBRJHLHHOE-TWGQIWQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2926909090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340+P312,P305+P351+P338+P310,P332+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  1759
• 危险性描述：
  H315,H318,H335

反应信息

• 作为反应物：
  描述：

  (Z)-3-chloro-3-phenylacrylonitrile 在 氢氧化钾 作用下， 生成 β-ethoxy-cinnamonitrile
  参考文献：
  名称：

  v. Auwers; Huegel, Journal fur praktische Chemie (Leipzig 1954), 1935, vol. <2> 143, p. 179,185

  摘要：

  DOI：
• 作为产物：
  描述：

  3-chloro-3-phenyl-1-prop-2-en-1-yliden-dimethyliminium perchlorate 在 盐酸羟胺 、 乙酸酐 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 (Z)-3-chloro-3-phenylacrylonitrile
  参考文献：
  名称：

  Liebscher, Juergen; Neumann, Bernd; Hartmann, Horst, Journal fur praktische Chemie (Leipzig 1954), 1983, vol. 325, # 6, p. 915 - 918

  摘要：

  DOI：

文献信息

• ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS
  申请人：Gokaraju Ganga Raju

  公开号：US20100068178A1

  公开（公告）日：2010-03-18

  The present invention discloses triazene analogs of the general formula (I) and formula (II), their tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, and pharmaceutically acceptable salts thereof for the metastatic malignant melanoma and other cancers including but not limited to lymphomas, sarcomas, carcinomas, and gliomas. The invention further discloses a process for the preparation of the above said triazene analogs of formula (I) and formula (II), and their pharmaceutically acceptable compositions.

  本发明公开了一般式(I)和式(II)的三氮烯类似物，其互变异构体、立体异构体、多晶形态、水合物、溶剂合物及其在转移性恶性黑色素瘤和其他癌症，包括但不限于淋巴瘤、肉瘤、癌瘤和胶质瘤中的药用可接受盐。该发明还公开了制备上述式(I)和式(II)的三氮烯类似物以及其药用可接受组合物的方法。
• SELECTIVE HDAC1 AND HDAC2 INHIBITORS
  申请人：Acetylon Pharmaceuticals, Inc.

  公开号：US20140128391A1

  公开（公告）日：2014-05-08

  Provided herein are compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with HDAC activity, particularly diseases or disorders that involve activity of HDAC1 and/or HDAC2. Such diseases include cancer, sickle-cell anemia, beta-thalassemia, and HIV.

  提供的是化合物、包含此类化合物的药物组合物，以及使用此类化合物来治疗或预防与HDAC活性相关疾病或失调的方法，尤其是涉及HDAC1和/or HDAC2活性的疾病。这些疾病包括癌症、镰状细胞性贫血、β-地中海贫血和HIV。
• [EN] ANTI-CANCER DRUGS, AND USES RELATING FOR MALIGNANT MELANOMA AND OTHER CANCERS<br/>[FR] MÉDICAMENTS ANTICANCÉREUX ET UTILISATIONS LIÉES À DES MÉLANOMES MALINS ET À D'AUTRES CANCERS
  申请人：KASINA LAILA INNOVA PHARMACEUT

  公开号：WO2010125575A1

  公开（公告）日：2010-11-04

  Selenopheno triazene analogs, their compositions, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, and pharmaceutically acceptable salts and mixtures thereof are useful for the treatment of metastatic malignant melanoma and other cancers. The selenopheno triazene analogs have the general formulae (I) or (II): wherein the substituents R1, R2, R3, R6, and R7 are as described in the specification. Other cancers include which may be treated with these compounds include, but are not limited to, malignant melanoma, leukemia, lymphomas (Hodgkins and non-Hodgkins), sarcomas (Ewing's sarcoma), brain tumors, central nervous system (CNS) metastases, gliomas, carcinomas such as breast cancer, prostate cancer, lung cancer (small cell and non-small cell), colon cancer, pancreatic cancer, Head and Neck cancers and oropharyngeal squamous cell carcinoma.

  硒吡喃三氮烯类似物，它们的组成物，互变异构体，立体异构体，多晶形态，水合物，溶剂合物，以及药学上可接受的盐和它们的混合物可用于治疗转移性恶性黑色素瘤和其他癌症。硒吡喃三氮烯类似物具有一般式(I)或(II)：其中取代基R1、R2、R3、R6和R7如规范中所述。其他可用这些化合物治疗的癌症包括但不限于恶性黑色素瘤、白血病、淋巴瘤（霍奇金病和非霍奇金病）、肉瘤（尤因肉瘤）、脑肿瘤、中枢神经系统（CNS）转移瘤、胶质瘤、癌症如乳腺癌、前列腺癌、肺癌（小细胞和非小细胞）、结肠癌、胰腺癌、头颈癌和口咽鳞状细胞癌。
• ANTI-CANCER DRUGS, AND USES RELATING FOR MALIGNANT MELANOMA AND OTHER CANCERS
  申请人：GOKARAJU Ganga Raju

  公开号：US20100272678A1

  公开（公告）日：2010-10-28

  Selenopheno triazene analogs, their compositions, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, and pharmaceutically acceptable salts and mixtures thereof are useful for the treatment of metastatic malignant melanoma and other cancers. The selenopheno triazene analogs have the general formulae (I) or (II): wherein the substituents R 1 , R 2 , R 3 , R 6 , and R 7 are as described in the specification. Other cancers include which may be treated with these compounds include, but are not limited to, malignant melanoma, leukemia, lymphomas (Hodgkins and non-Hodgkins), sarcomas (Ewing's sarcoma), brain tumors, central nervous system (CNS) metastases, gliomas, carcinomas such as breast cancer, prostate cancer, lung cancer (small cell and non-small cell), colon cancer, pancreatic cancer, Head and Neck cancers and oropharyngeal squamous cell carcinoma.

  硒吡嗪三唑类似物，它们的组成物，互变异构体，立体异构体，多晶形态，水合物，溶剂合物，以及其药用可接受的盐和混合物对于治疗转移性恶性黑色素瘤和其他癌症是有用的。硒吡嗪三唑类似物具有一般式(I)或(II)：其中取代基R1、R2、R3、R6和R7如规范中所述。这些化合物可用于治疗的其他癌症包括但不限于恶性黑色素瘤、白血病、淋巴瘤（霍奇金病和非霍奇金病）、肉瘤（尤因肉瘤）、脑肿瘤、中枢神经系统（CNS）转移、胶质瘤、癌症如乳腺癌、前列腺癌、肺癌（小细胞和非小细胞）、结肠癌、胰腺癌、头颈癌和口咽鳞状细胞癌。
• SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED

  公开号：US20130266563A1

  公开（公告）日：2013-10-10

  Selenophene compounds of formula (I) are described herein. In the compounds of Formula (I), ring A is a 6-membered aromatic fused ring, optionally containing one, two or three nitrogen atoms; a 5-membered heteroaromatic fused ring; or a mono- or bicyclic saturated heterocyclic fused ring having at least one ring member selected from the group consisting of N, O, S, SO and SO 2 ; Y in ring B is nitrogen or substituted carbon; X is NR 6 , O, S, S(O), or S(O) 2 . R 1 , R 2 , R 3 , R 4 , and R 6 are defined in the specification. Selenophene compounds of formula (I) may be used in methods of treating cell proliferative disorders, particularly cancer. Pharmaceutical compositions containing selenophene compounds of formula (I) may be used for treatment, inhibition, or control of cancer.

  Selenophene化合物的化学式（I）在此描述。在化合物的化学式（I）中，环A是一个6元芳香融合环，可选地含有一个、两个或三个氮原子；一个5元杂芳融合环；或者至少有一个环成员选自N、O、S、SO和SO2的单环或双环饱和杂环融合环；环B中的Y是氮或取代碳；X是NR6、O、S、S（O）或S（O）2。R1、R2、R3、R4和R6在规范中有定义。化学式（I）的Selenophene化合物可用于治疗细胞增殖紊乱的方法，特别是癌症。含有化学式（I）的Selenophene化合物的药物组合物可用于治疗、抑制或控制癌症。