- Development of photo-crosslinking reagents for protein kinase-substrate interactionsBy Parang, Keykavous et al, FEBS Letters, 2002, 520(1-3), 156-160
Cas no 52830-41-8 (Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with N-phenylphosphoramidic acid)
52830-41-8 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with N-phenylphosphoramidic acid
CAS No:52830-41-8
MF:C16H21N6O12P3
MW:582.292225599289
CID:369671
PubChem ID:193883
Update Time:2025-04-19
Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with N-phenylphosphoramidic acid Chemical and Physical Properties
Names and Identifiers
-
- Adenosine5'-(trihydrogen diphosphate), P'-anhydride with phenylphosphoramidic acid (9CI)
- ATP gamma-anilide
- ATP γ-anilide
- Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with phenylphosphoramidic acid (9CI)
- Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with N-phenylphosphoramidic acid
- gamma-Anilino-ATP
- Adenosine 5'-(trihydrogen diphosphate), monoanhydride with phenylphosphoramidic acid
- 52830-41-8
- DTXSID10967291
- gamma-Anilide ATP
- Adenosine triphosphate gamma-anilide
- 9-{5-O-[{[{[Anilino(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
- [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-phenylphosphonamidic acid
- Gan-ATP
- ATP γ-anilide
-
- Inchi： 1S/C16H21N6O12P3/c17-14-11-15(19-7-18-14)22(8-20-11)16-13(24)12(23)10(32-16)6-31-36(27,28)34-37(29,30)33-35(25,26)21-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,27,28)(H,29,30)(H2,17,18,19)(H2,21,25,26)/t10-,12-,13-,16-/m1/s1
- InChI Key： WGONRKWYOCBBTI-XNIJJKJLSA-N
- SMILES： P(=O)(O)(OP(=O)(O)OP(NC1C=CC=CC=1)(=O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O
Computed Properties
- Exact Mass: 582.04323
- Monoisotopic Mass: 582.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 37
- Rotatable Bond Count: 10
- Complexity: 945
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _2.8
- Topological Polar Surface Area: 271?2
Experimental Properties
- Density: 2.17
- Boiling Point: 923.9°Cat760mmHg
- Flash Point: 512.5°C
- Refractive Index: 1.826
- PSA: 270.93
Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with N-phenylphosphoramidic acid Production Method
Production Method 1
Reaction Conditions
1.1R:NaOH, R:CME-carbodiimide, S:H2O
1.2R:HCl, S:H2O
1.2R:HCl, S:H2O
Reference
Production Method 2
Reaction Conditions
1.1R:NaOH, S:H2O, pH 7
1.2R:EtN=C=N(CH2)3NMe2 ?HCl, S:H2O, 2 h, rt, pH 5.6-5.8
1.2R:EtN=C=N(CH2)3NMe2 ?HCl, S:H2O, 2 h, rt, pH 5.6-5.8
Reference
- Structural Analysis of ATP Analogues Compatible with Kinase-Catalyzed LabelingBy Suwal, Sujit et al, Bioconjugate Chemistry, 2012, 23(12), 2386-2391
Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with N-phenylphosphoramidic acid Raw materials
Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with N-phenylphosphoramidic acid Preparation Products
Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with N-phenylphosphoramidic acid Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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