methyl 5-methyl-4-nitroselenophene-2-carboxylate | 1252925-55-5

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: methyl 5-methyl-4-nitroselenophene-2-carboxylate
• CAS: 1252925-55-5
• 化学式: C₇H₇NO₄Se
• 分子量: 248.097
• InChiKey: DLISJAWDEGGHSP-UHFFFAOYSA-N

物化性质

• 沸点：
  331.0±37.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.75
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 5-methyl-4-nitroselenophene-2-carboxylate 在 盐酸 、 铁粉 、 氯化铵 作用下， 以 甲醇 、 水 、 异丙醇 为溶剂， 反应 17.0h， 生成 methyl 4-(6,7-dimethoxy-2-methylquinazolin-4-ylamino)-5-methylselenophene-2-carboxylate
  参考文献：
  名称：

  SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF

  摘要：

  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。

  公开号：

  US20130266563A1
• 作为产物：
  描述：

  methyl 5-methyl-2-selenophenecarboxylate 在 硝酸 、 乙酸酐 作用下， 反应 17.0h， 以35%的产率得到methyl 5-methyl-4-nitroselenophene-2-carboxylate
  参考文献：
  名称：

  SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF

  摘要：

  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。

  公开号：

  US20130266563A1

文献信息

• [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。
• Anti-cancer drugs, and uses relating for malignant melanoma and other cancers
  申请人：Kasina Laila Innova Pharmaceuticals Private Limited

  公开号：US08143237B2

  公开（公告）日：2012-03-27

  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.

  Selenopheno triazene类似物，它们的组成，互变异构体，立体异构体，多晶体，水合物，溶剂物和药学上可接受的盐以及它们的混合物，可用于治疗转移性恶性黑色素瘤和其他癌症。 Selenopheno triazene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。其他可能使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（霍奇金氏和非霍奇金氏），肉瘤（尤因肉瘤），脑肿瘤，中枢神经系统（CNS）转移，胶质瘤，如乳腺癌，前列腺癌，肺癌（小细胞和非小细胞），结肠癌，胰腺癌，头颈癌和咽喉鳞状细胞癌。
• 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：US08815879B2

  公开（公告）日：2014-08-26

  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 SO2; Y in ring B is nitrogen or substituted carbon; X is NR6, O, S, S(O), or S(O)2. R1, R2, R3, R4, and R6 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.

  本文描述了公式（I）的硒杂苯化合物。在公式（I）的化合物中，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；或者是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是氮或取代的碳；X是NR6、O、S、S（O）或S（O）2。R1、R2、R3、R4和R6在规范中有定义。公式（I）的硒杂苯化合物可用于治疗细胞增殖性疾病，特别是癌症。含有公式（I）的硒杂苯化合物的制药组合物可用于治疗、抑制或控制癌症。
• 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。