基本信息
![2-[3-[2-[(2S)-butan-2-yl]-6-(1H-indol-3-yl)-3-oxo-7H-imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine（7273-34-9）结构式图片](http://hg.y866.cn/compound/lib/scimg/cas/375/7273-34-9.png)
CAS号：
7273-34-9
中文名称：
分子式：
C22H27N7O
分子量：
405.496083498001
名称与标识
名称
中文别名：
萤光素;
英文别名：
2-[3-[2-[(2S)-butan-2-yl]-6-(1H-indol-3-yl)-3-oxo-7H-imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine;CHEBI:17073;SureCN5502913;[3-(2-sec-butyl-6-indol-3-yl-3-oxo-3,7-dihydro-imidazo[1,2-a]pyrazin-8-yl)-propyl]-guanidine;Cypridina luciferin;C02825;SureCN823117;Vargulin;dl-Cypridina luciferin;AC1L983W;(dl)-Cypridina luciferin;[3-[3,7-dihydro-6-(1H-indol-3-yl)-2-[(S)-1-methyl-6-propyl]-3-oxoimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine;cypridinluciferin;Luciferin;SCHEMBL20721120;7273-34-9;DTXSID40331446;Vargulin trifluoroacetate salt;SCHEMBL10306596;Cypridinid luciferin;EX-A5517;
标识符
InChIKey：
ZWPWSXGBDMGKKS-UHFFFAOYSA-N
Inchi：
1S/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26-27H,3,6,9-10H2,1-2H3,(H4,23,24,25)
SMILES：
CCC(C1C(=O)N2C(=C(NC(C3C4C(=CC=CC=4)NC=3)=C2)CCCNC(=N)N)N=1)C
物化性质
实验特性
- PSA : 124.89
计算特性
- 精确分子量 : 405.22801
- 氢键供体数量 : 4
- 氢键受体数量 : 4
- 可旋转化学键数量 : 7
- 同位素质量 : 405.22770851g/mol
- 重原子数量 : 30
- 复杂度 : 598
- 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 : 1
- 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） : 3.1
- 拓扑分子极性表面积 : 131Ų
相关文献
- 1. Chemiluminescent 2,6-diphenylimidazo[1,2-a]pyrazin-3(7H)-ones: a new entry to Cypridina luciferin analogues
Yuki Ishii,Chihiro Hayashi,Yoshihisa Suzuki,Takashi Hirano Photochem. Photobiol. Sci. 2014 13 182 - 2. Chemiluminescence for bioimaging and therapeutics: recent advances and challenges
Mingwang Yang,Jiaguo Huang,Jiangli Fan,Jianjun Du,Kanyi Pu,Xiaojun Peng Chem. Soc. Rev. 2020 49 6800 - 3. Chemiluminescence of Cypridina luciferin analogues. Part 1. Effect of pH on rates of spontaneous autoxidation of CLA in aqueous buffer solutions
Ken Fujimori,Hiromitsu Nakajima,Katsuhisa Akutsu,Motohiro Mitani,Hideo Sawada,Masaharu Nakayama J. Chem. Soc. Perkin Trans. 2 1993 2405 - 4. Chemiluminescence of Cypridina luciferin analogues. Part 1. Effect of pH on rates of spontaneous autoxidation of CLA in aqueous buffer solutions
Ken Fujimori,Hiromitsu Nakajima,Katsuhisa Akutsu,Motohiro Mitani,Hideo Sawada,Masaharu Nakayama J. Chem. Soc. Perkin Trans. 2 1993 2405 - 5. Cyclisation of a dehydropeptide derivative: a model for cypridina luciferin biosynthesis
Frank McCapra,Martin Roth J. Chem. Soc. Chem. Commun. 1972 894 - 6. The chemiluminescence of a Cypridina luciferin analogue
Frank McCapra,Y. C. Chang Chem. Commun. (London) 1967 1011 - 7. 1001 lights: luciferins, luciferases, their mechanisms of action and applications in chemical analysis, biology and medicine
Zinaida M. Kaskova,Aleksandra S. Tsarkova,Ilia V. Yampolsky Chem. Soc. Rev. 2016 45 6048 - 8. Molecular substrates for the construction of afterglow imaging probes in disease diagnosis and treatment
Xinzhu Wang,Kanyi Pu Chem. Soc. Rev. 2023 52 4549 - 9. Muscarine, imidazole, oxazole and thiazole alkaloids
Zhong Jin Nat. Prod. Rep. 2016 33 1268 - 10. Muscarine, imidazole, oxazole and thiazole alkaloids
Zhong Jin Nat. Prod. Rep. 2009 26 382
