2-amino-4-oxopyrrolo[2,3-d]pyrimidine | 1314979-30-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 2-amino-4-oxopyrrolo[2,3-d]pyrimidine
• 英文别名: 2-aminopyrrolo(2,3-d)pyrimidin-4-one；2-Aminopyrrolo[2,3-d]pyrimidin-4-one；2-Iminopyrrolo[2,3-d]pyrimidin-4-one；2-iminopyrrolo[2,3-d]pyrimidin-4-one
• CAS: 1314979-30-0
• 化学式: C₆H₄N₄O
• mdl: MFCD19207719
• 分子量: 148.124
• InChiKey: IOQWCZKWYJSIPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-amino-4-oxopyrrolo[2,3-d]pyrimidine 以 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 三氯氧磷 为溶剂， 生成 2-氨基-4-氯吡咯并[2,3-d]嘧啶
  参考文献：
  名称：

  Thiodeazapurine derivatives

  摘要：

  公式为：##STR1## 其中R.sub.1是氢原子或酰基，R.sub.4和R.sub.5分别是氢原子或碳氢基团，其可以选择性地具有一个或多个取代基，或R.sub.4和R.sub.5与相邻的氮原子一起形成环状氨基团。这些7-脱氧嘌呤衍生物可用作抗肿瘤剂、微生物杀灭剂或消毒剂。

  公开号：

  US04595530A1

文献信息

• Substituted 5-aminomethyl-2-acylaminopyrrolo[2,3-d]pyrimidin-4-ones
  申请人：Takeda Chemical Industries Ltd.

  公开号：US04571423A1

  公开（公告）日：1986-02-18

  7-Deazapurine derivatives of the formula (I): ##STR1## (R.sup.1 is an acyl group; each of R.sup.2 and R.sup.3 is an alkyl, alkenyl or aralkyl group of alternatively R.sup.2 and R.sup.3, taken together with the adjacent nitrogen atom, form a cyclic amino group, and each of said alkyl group, alkenyl group, aralkyl group and cyclic amino group has a methylene group in .alpha.-position) and salts thereof are of value as intermediates for the production of antitumor agents, biological reagents, etc.

  式(I)的7-去氨嘌呤衍生物：(R.sup.1是酰基；R.sup.2和R.sup.3中的每一个是烷基、烯烃基或芳基烷基，或者R.sup.2和R.sup.3与相邻的氮原子一起形成环状氨基团，并且所述的每一个烷基团、烯烃基团、芳基烷基团和环状氨基团在α-位置有一个亚甲基基团)，以及其盐，作为生产抗肿瘤剂、生物试剂等的中间体具有价值。
• Novel pyrimidine derivatives and methods of making and using these derivatives
  申请人：——

  公开号：US20020052384A1

  公开（公告）日：2002-05-02

  This invention discloses pyrimidine derivatives, and pharmaceutically acceptable salts and prodrugs thereof, useful in therapeutically and/or prophylactically treating patients with an illness. Such illnesses include cancer, and secondary infections caused by Pneumocystis carinii and Toxoplasmosis gondii in immunocompromised patients. The compounds themselves, methods of making these compounds, and methods of using these compounds are all disclosed.

  本发明披露了嘧啶衍生物及其药学上可接受的盐和前药，用于治疗患有疾病的患者的治疗和/或预防。这种疾病包括癌症和免疫功能受损的患者因肺孢子菌和弓形虫感染而引起的继发感染。本发明披露了这些化合物本身，制备这些化合物的方法以及使用这些化合物的方法。
• SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE AND/OR OTHER FOLATE METABOLIZING ENZYMES INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME
  申请人：Gangjee Aleem

  公开号：US20110082158A1

  公开（公告）日：2011-04-07

  Fused cyclic pyrimidine compounds, including tautomers thereof, and pharmaceutically acceptable salts, prodrugs, solvates and hydrates thereof, are disclosed having the general Formula II: These compounds are useful in methods for treating cancer, selectively targeting cancerous cells via the proton coupled folate transporter, folate receptor alpha, and/or folate receptor beta pathways, inhibiting GARFTase and/or other folate metabolizing enzymes in cancerous cells, and selectively targeting activated macrophages in a patient having an autoimmune disease, such as rheumatoid arthritis.

  本发明公开了融合的环状嘧啶化合物（包括其互变异构体）及其药学上可接受的盐、前药、溶剂化物和水合物，其具有通用式II：这些化合物在治疗癌症的方法中有用，通过质子耦合叶酸转运体、叶酸受体α和/或叶酸受体β途径选择性地靶向癌细胞，抑制癌细胞中的GARFT酶和/或其他叶酸代谢酶，并选择性地靶向患有自身免疫疾病（如类风湿性关节炎）的患者中的活化巨噬细胞。
• Glutamic acid derivatives as antineoplastic agents
  申请人：ELI LILLY AND COMPANY

  公开号：EP0567223A1

  公开（公告）日：1993-10-27

  This invention relates to N-[2-amino-4-substituted-[[(pyrrolo or pyrido)[2,3-d]pyrimidinyl]-alkyl]benzoyl]-L-glutamic acid compounds of formula wherein Ar is dihydropyrrolo, pyrrolo, pyrido or tetrahydropyrido ; R1 is hydrogen, chloro, alkylthio, alkoxy, alkylamino, or dialkylamino ; and R2 is C2-C3 alkyl intermediates for their synthesis, pharmaceutical formulations containing those compounds, and their use as antineoplastic agents.

  本发明涉及 N-[2-氨基-4-取代-[[(吡咯或吡啶)[2,3-d]嘧啶基]-烷基]苯甲酰基]-L-谷氨酸化合物，其式为 其中 Ar 是二氢吡咯、吡咯、吡啶或四氢吡啶； R1 是氢、氯、烷硫基、烷氧基、烷基氨基或二烷基氨基；以及 R2 是 C2-C3 烷基中间体，用于合成、配制含有这些化合物的药物以及用作抗肿瘤剂。
• Deazapurine derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0089055B1

  公开（公告）日：1987-06-03