Products for Research Use Only
RegisterLogin

Ap4dT

CAT: 0013-GTR19241529-02Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19241529-02Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ap4dT is a potent inhibitor of human adenylate kinase isozyme 1 (hAK1), exhibiting IC50 values of 42 μM and 38 μM for the suppression of ATP and ADP synthesis, respectively. This small molecule is a valuable research tool for studying nucleotide metabolism in cellular and biochemical assays.
CAS Number
1146545-74-5
Field of Research
Cell Biology, Molecular Biology
Smiles
O[C@H]1[C@@H] (O[C@@H] ([C@H]1O) COP (OP (OP (OP (OC[C@H]2O[C@@H] (N3C (NC (C (C) =C3) =O) =O) C[C@@H]2O) ([O-]) =O) ([O-]) =O) ([O-]) =O) ([O-]) =O) N4C5=NC=NC (N) =C5N=C4.[NH4+].[NH4+].[NH4+].[NH4+]
Molecular Formula
C20H41N11O20P4
Molecular Weight
879.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tetraazanium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CAS Number1146545-74-5
PubChem CID176419392
IUPAC Nametetraazanium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular FormulaC20H41N11O20P4
Molecular Weight879.5
Topological Polar Surface Area409
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count24
Rotatable Bond Count14
Heavy Atom Count55
Formal Charge0
Complexity1540
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O.[NH4+].[NH4+].[NH4+].[NH4+]
InChI
InChI=1S/C20H29N7O20P4.4H3N/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(43-12)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-11-14(29)15(30)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27;;;;/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,31,32);4*1H3/t9-,10+,11+,12+,14+,15+,19+;;;;/m0..../s1
InChIKey
OGSNHHXHVIIQFA-JHRXNZGWSA-N
Chemical Structure
2D Structure
2D structure of tetraazanium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CAS: 1146545-74-5
CID: 176419392
Formula: C20H41N11O20P4
MW: 879.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight879.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count24
Rotatable Bond Count14
Exact Mass879.14798073
Monoisotopic Mass879.14798073
Topological Polar Surface Area409 Ų
Heavy Atom Count55
Formal Charge0
Complexity1540
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

Alternative Products

CatalogName
NU-501LAP4dT
HY-168345Ap4dT (tetraammonium)
JBS-NU-501LAP4dT, L pack
JBS-NU-501SAP4dT, S pack

Popular Products