1441190-66-4 (2'3'-cGAMP,2',3'-cGAMP)

CAS号:
1441190-66-4
中文名称:
2'3'-cGAMP
英文名称:
2',3'-cGAMP
分子式:
C20H24N10O13P2
分子量:
674.4113
简介:
2',3'-cGAMP (2'-3'-cyclic GMP-AMP) 是一种哺乳动物细胞中的内源性 cGAMP。2',3'-cGAMP 以高亲和力结合 STING,是干扰素-β (IFNβ) 的有效诱导物。2',3'-cGAMP 是在哺乳动物细胞中为响应细胞质中的 DNA 而产生。

2'3'-cGAMP(1441190-66-4)名称与标识符

名称

英文别名:
2'3'-Cgamp;cGAMP(2'-5');Cyclic Gp(2'-5')Ap(3'-5');Cyclic guanosine monophosphate-adenosine monophosphate;2'3'-Cyclic guanosine monophosphate-adenosine monophosphate;C20640;552Y49K43E;C(g(2',5')pa(3',5')P);c[G(2',5')pA(3',5')p];1SY;2'-o,5'-O-((Adenosine-3'-o,5'-o-diyl)bisphosphinico)guanosine;2'-O,5'-O-[(Adenosine-3'-O,5'-O-diyl)bisphosphinico]guanosine;2',3'-cGAMP;cyclic GMP-AMP;1441190-66-4;2-amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;J3.180.146J;GTPL9207;UNII-552Y49K43E;E5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2'-3'-cGAMP;5'-o,2'-O-(3',5'-Dideoxyadenosine-3',5'-diylbis(oxy(hydroxyphosphinylidene)))guanosine;6H-Purin-6-one, 2-amino-9-((5R,7R,8R,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)octahydro-2,10,15,16-tetrahydroxy-2,10-dioxido-5,8-methano-12H-furo(3,2-l)-1,3,6,9,11,2,10-pentaoxadiphosphacyclot etradecin-7-yl)-1,9-dihydro-;PD039600;2-amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3;cyclic (guanosine-(2'->5')-monophosphate-adenosine-(3'->5')-monophosphate);2-3-cGAMP;cyclic [G(2',5')pA(3',5')p];CHEMBL4465054;2-Amino-9-((5R,7R,8R,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro(3,2-l)(1,3,6,9,11,2,10)pentaoxadiphosphacyclotetradecin-7-yl)-1,9-dihydro-6H-purin-6-one;Q17143195;2',3' cGAMP; c-GMP-AMP; c[G(2',5')pA(3',5')p];BDBM50506263;AC-33623;2'3'-cGAMP?;2'-3'-cyclic GMP-AMP;2',3'-cGAMP;2',3'-cGAMP sodium salt, >=98% (HPLC);(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0,octadecane-3,12-dione;2-amino-9-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]-3,9-dihydro-6H-purin-6-one;SCHEMBL17325409;2-amino-9-[(5R,7R,8R,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]-1,9-dihydro-6H-purin-6-one;CHEBI:75947;2/'3/'-cGAMP;AKOS040732256;2'-Guanylic acid, adenylyl-(3'->5')-, cyclic nucleotide;2',5'-3',5'-cGAMP;2-Amino-9-((1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo(13.2.1.06,10)octadec-17-yl)-1,9-dihydro-6H-purin-6-one;c-GpAp;E5,12;2-Amino-9-((2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro(3,2-l)(1,3,6,9,11,2,10)pentaoxadiphosphacyclotetradecin-7-yl)-3,9-dihydro-6H-purin-6-one;SCHEMBL24649405;2'-3'-cyclic GMP-AMP;

标识符

InChIKey:
XRILCFTWUCUKJR-INFSMZHSSA-N
Inchi:
1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
SMILES:
P1(=O)(O[H])OC([H])([H])[C@]2([H])[C@]([H])([C@]([H])([C@]([H])(N3C([H])=NC4=C(N([H])[H])N=C([H])N=C34)O2)O[H])OP(=O)(O[H])OC([H])([H])[C@]2([H])[C@]([H])([C@]([H])([C@]([H])(N3C([H])=NC4C(N([H])C(N([H])[H])=NC3=4)=O)O2)O1)O[H]

2'3'-cGAMP(1441190-66-4)物化性质

计算特性

  • 精确分子量 : 674.09995485g/mol
  • 氢键供体数量 : 7
  • 氢键受体数量 : 19
  • 可旋转化学键数量 : 2
  • 同位素质量 : 674.09995485g/mol
  • 重原子数量 : 45
  • 复杂度 : 1300
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 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) : -5.9
  • 拓扑分子极性表面积 : 325

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