85998-08-9 ((Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI))

快速询单

结构式：

Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI)MOL文件

CAS号：

85998-08-9

英文名称：

Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI)

分子式：

C₄H₃N₅

分子量：

121.100118875504

Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI)(85998-08-9)名称与标识符

名称

英文别名：

Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI);imidazo[5,1-d][1,2,3,5]tetrazine;DTXSID00621517;imi-dazotetrazine;85998-08-9;SCHEMBL2453506;

标识符

InChIKey：

UCAPTQYAIUPNNR-UHFFFAOYSA-N

Inchi：

1S/C4H3N5/c1-4-7-8-6-3-9(4)2-5-1/h1-3H

SMILES：

N12C=NN=NC1=CN=C2

Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI)(85998-08-9)物化性质

计算特性

精确分子量 : 121.03884512g/mol
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 0
同位素质量 : 121.03884512g/mol
重原子数量 : 9
复杂度 : 105
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0
拓扑分子极性表面积 : 56Å²

Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI)(85998-08-9)相关文献

1. A novel series of phenolic temozolomide (TMZ) esters with 4 to 5-fold increased potency, compared to TMZ, against glioma cells irrespective of MGMT expression
Leroy Shervington,Oliver Ingham,Amal Shervington RSC Adv. 2020 10 17561
2. Antitumor imidazo[5,1-d]-1,2,3,5-tetrazines: compounds modified at the 3-position overcome resistance in human glioblastoma cell lines
David Cousin,Jihong Zhang,Marc G. Hummersone,Charles S. Matthews,Mark Frigerio,Tracey D. Bradshaw,Malcolm F. G. Stevens Med. Chem. Commun. 2016 7 2332
3. Antitumour imidazotetrazines. Part 39.1 Synthesis of bis(imidazotetrazine)s with saturated spacer groups
Jill Arrowsmith,Sharon A. Jennings,David A. F. Langnel,Richard T. Wheelhouse,Malcolm F. G. Stevens J. Chem. Soc. Perkin Trans. 1 2000 4432
4. Antitumour imidazotetrazines. Part 36.1 Conversion of 5-aminoimidazole-4-carboxamide to imidazo[5,1-d?][1,2,3,5]tetrazin-4(3H?)-ones and imidazo[1,5-a][1,3,5]triazin-4(3H?)-ones related in structure to the antitumour agents temozolomide and mitozolomide
Yongfeng Wang,Richard T. Wheelhouse,Linxiang Zhao,David A. F. Langnel,Malcolm F. G. Stevens J. Chem. Soc. Perkin Trans. 1 1998 1669
5. Synthesis and growth-inhibitory activities of imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamides related to the anti-tumour drug temozolomide, with appended silicon, benzyl and heteromethyl groups at the 3-position
David Cousin,Marc G. Hummersone,Tracey D. Bradshaw,Jihong Zhang,Christopher J. Moody,Magdalena B. Foreiter,Helen S. Summers,William Lewis,Richard T. Wheelhouse,Malcolm F. G. Stevens Med. Chem. Commun. 2018 9 545

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85998-08-9 ((Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI))

Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI)(85998-08-9)名称与标识符

名称

标识符

Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI)(85998-08-9)物化性质

计算特性

Imidazo[5,1-d]-1,2,3,5-tetrazine (9CI)(85998-08-9)相关文献

目录