6-Amino-7,9-dimethyl-7H-purin-8(9H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-Amino-7,9-dimethyl-7H-purin-8(9H)-one
• 英文别名: 6-Amino-7,9-dimethylpurin-8-one
• 化学式: C₇H₉N₅O
• 分子量: 179.181
• InChiKey: AHDIOPOUWXQQFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-Benzyl-6-imino-7,9-dimethyl-3,6,7,9-tetrahydro-purin-8-one; hydrochloride 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 水 为溶剂， 反应 2.5h， 以87%的产率得到6-Amino-7,9-dimethyl-7H-purin-8(9H)-one
  参考文献：
  名称：

  Purines. LXXVI. Alkylation of 8-Oxoadenine Derivatives: Syntheses of 3,7-Dialkyl-, 3,9-Dialkyl-, and 3,7,9-Trialkyl-8-oxoadenines.

  摘要：

  d, h·HCl·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H2O·H

  DOI：

  10.1248/cpb.45.1582

文献信息

• [EN] INHIBITORS OF THE TEC KINASE ENZYME FAMILY<br/>[FR] INHIBITEURS DE LA FAMILLE DES ENZYMES KINASES TEC
  申请人：PHARMASCIENCE INC

  公开号：WO2016187723A1

  公开（公告）日：2016-12-01

  The present invention relates to a novel family of kinases inhibitors. Compounds of this class have been found to have inhibitory activity against members of the TEC kinase family, particularly BTK. The present invention is directed to a compound of Formula I or pharmaceutically acceptable salt, solvate, solvate of salt, stereoisomer, tautomer, isotope, prodrug, complex or biologically active metabolite thereof, for use in therapy.

  这项发明涉及一类新型激酶抑制剂。已发现该类化合物对TEC激酶家族成员，特别是BTK，具有抑制活性。本发明涉及一种具有式I的化合物或药用可接受的盐、溶剂化合物、盐的溶剂化合物、立体异构体、互变异构体、同位素、前药、复合物或其生物活性代谢物，用于治疗。
• Synthesis of Acyclic Nucleoside and Nucleotide Analogs Derived from 6-Amino-7H-purin-8(9H)-one
  作者：Zlatko Janeba、Antonín Holý、Milena Masojídková

  DOI：10.1135/cccc20001126

  日期：——

  Reaction of 8-bromoadenine derivatives2with sodium acetate in acetic acid and cleavage of (S)-7-[(trityloxy)methyl]-7,8-dihydro[1,3]oxazolo[3,2-e]purin-4-amine (12) and diisopropyl (S)-[(4-amino-8,9-dihydro-7H-[1,3]oxazino[3,2-e]purin-8-yl)oxy]methyl}phosphonate (13a) were used for the synthesis of the corresponding N⁹-substituted derivatives of 6-amino- 7H-purin-8(9H)-one3a-3cand7. Alkylation of 6-amino-7H-purin-8(9H)-one (3a) with diverse alkylation agents afforded the title N⁹-monosubstituted3b,3dand7aand N⁷,N⁹-disub- stituted acyclic nucleoside and nucleotide analogs6b,6dand8a.

  8-溴腺嘌呤衍生物2与醋酸钠在醋酸中反应，裂解(S)-7-[(三苯甲氧基)甲基]-7,8-二氢[1,3]噁唑并[3,2-e]嘌呤-4-胺(12)和二异丙基(S)-[(4-氨基-8,9-二氢-7H-[1,3]噁唑并[3,2-e]嘌呤-8-基)氧基]甲基}磷酸酯(13a)用于合成相应的N^9-取代衍生物6-氨基-7H-嘌呤-8(9H)-酮3a-3c和7。将6-氨基-7H-嘌呤-8(9H)-酮(3a)与不同烷基化试剂烷基化，得到标题N^9-单取代3b、3d和7a以及N^7,N^9-双取代无环核苷和核苷酸类似物6b、6d和8a。
• [EN] CYCLOALKYLIDENE CARBOXYLIC ACIDS AND DERIVATIVES AS BTK INHIBITORS<br/>[FR] ACIDES CYCLOALKYLIDÈNECARBOXYLIQUES ET DÉRIVÉS EN TANT QU'INHIBITEURS DE LA BTK
  申请人：SUN PHARMA ADVANCED RES CO LTD

  公开号：WO2021038540A1

  公开（公告）日：2021-03-04

  The present invention relates to novel cycloalkylidene carboxylic acids and derivatives thereof useful as Bruton tyrosine kinase (BTK) inhibitors. The present disclosure also relates to processes for their preparation, pharmaceutical compositions containing one or more such compounds, and to the use of such compounds and pharmaceutical compositions for the treatment of disorders involving mediation of BTK in humans (Formula I).

  本发明涉及一种新型的环烷基亚甲基羧酸及其衍生物，可用作布鲁顿酪氨酸激酶（BTK）抑制剂。本公开还涉及其制备方法，含有一种或多种此类化合物的药物组合物，以及利用这些化合物和药物组合物治疗涉及BTK介导的人类疾病的用途（化学式I）。
• CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION
  申请人：Shanghai de Novo Pharmatech Co., Ltd.

  公开号：EP3854799A1

  公开（公告）日：2021-07-28

  A cyclic dinucleotide analogue, a pharmaceutical composition thereof, and application. A cyclic dinucleotide analogue (I), an isomer thereof, a prodrug, a stable isotope derivative, or a pharmaceutically acceptable salt has the following structure. The cyclic dinucleotide analogue can be used as a regulator of a stimulator of interferon genes (STING) and a related signal path thereof, and can effectively treat and/or relieve multiple types of diseases, including but not limited to malignant tumors, inflammations, autoimmune diseases, and infectious diseases. In addition, the STING regulator can also be used as a vaccine adjuvant.

  一种环二核苷酸类似物、其药物组合物及应用。一种环二核苷酸类似物（I）、其异构体、原药、稳定同位素衍生物或药学上可接受的盐具有如下结构。环二核苷酸类似物可用作干扰素基因刺激物（STING）及其相关信号通路的调节剂，可有效治疗和/或缓解多种类型的疾病，包括但不限于恶性肿瘤、炎症、自身免疫性疾病和传染性疾病。此外，STING 调节剂还可用作疫苗佐剂。
• AMINONORDECANE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF
  申请人：Nanjing Transthera Biosciences Co., Ltd.

  公开号：EP3858833A1

  公开（公告）日：2021-08-04

  The present invention relates to a compound of formula I or a pharmaceutically acceptable salt, a solvate, an active metabolite, a polymorph, an ester, an optical isomer or a prodrug thereof, a pharmaceutical composition comprising the compound of formula I, and use of the compound, as a Bruton's tyrosine kinase inhibitor with high selectivity for BTK(C481S) mutant, in the manufacture of a medicament for preventing or treating a heteroimmune disease, an autoimmune disease or a cancer.

  本发明涉及一种式 I 的化合物或其药学上可接受的盐、溶液剂、活性代谢物、多晶型物、酯、光学异构体或原药，一种包含式 I 的化合物的药物组合物，以及该化合物作为对 BTK（C481S）突变体具有高选择性的布鲁顿酪氨酸激酶抑制剂在制造预防或治疗异种免疫性疾病、自身免疫性疾病或癌症的药物中的用途。