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6-PhEt-dATP

CAT: 0013-GTR19238334-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238334-03Size:100 mg
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Description
6-PhEt-dATP is an ATP analog that potentiates specific CFTR mutants, serving as a valuable research tool for cystic fibrosis. It is utilized in both in vitro and in vivo studies to investigate CFTR channel function and therapeutic strategies.
CAS Number
1239610-11-7
Smiles
N (CCC1=CC=CC=C1) C2=C3C (N (C=N3) [C@@H]4O[C@H] (COP (OP (OP (=O) (O) O) (=O) O) (=O) O) [C@@H] (O) C4) =NC=N2
Molecular Formula
C18H24N5O12P3
Molecular Weight
595.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[6-(2-phenylethylamino)purin-9-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CAS Number1239610-11-7
PubChem CID172653145
IUPAC Name[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[6-(2-phenylethylamino)purin-9-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular FormulaC18H24N5O12P3
Molecular Weight595.3
XLogP-2.1
Topological Polar Surface Area245
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity939
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCCC4=CC=CC=C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C18H24N5O12P3/c24-13-8-15(33-14(13)9-32-37(28,29)35-38(30,31)34-36(25,26)27)23-11-22-16-17(20-10-21-18(16)23)19-7-6-12-4-2-1-3-5-12/h1-5,10-11,13-15,24H,6-9H2,(H,28,29)(H,30,31)(H,19,20,21)(H2,25,26,27)/t13-,14+,15+/m0/s1
InChIKey
CXOSTZJQVCENBQ-RRFJBIMHSA-N
Chemical Structure
2D Structure
2D structure of [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[6-(2-phenylethylamino)purin-9-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CAS: 1239610-11-7
CID: 172653145
Formula: C18H24N5O12P3
MW: 595.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.3
XLogP3-2.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass595.06343221
Monoisotopic Mass595.06343221
Topological Polar Surface Area245 Ų
Heavy Atom Count38
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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T89014-016-PhEt-dATP
BLG-P012-256-PhEt-ATP
BLG-P013-056-PhEt-ADP
MBS256427-012'- Deoxy- N6- (2- phenylethyl)adenosine- 5'- O- triphosphate (6-PhEt-dATP)
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D 104-252'- Deoxy- N⁶- (2- phenylethyl) adenosine- 5'- O- triphosphate (6-PhEt-dATP), sodium salt
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