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2′-Thioadenosine

CAT: 0013-GTR19219511-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219511-02Size:50 mg
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Description
2'-Thioadenosine (PD157432) is an irreversible, selective inhibitor that covalently modifies a cysteine residue in the active site of ErbB-1 and inhibits ErbB-2 tyrosine kinase with an IC50 of 45 μM. This small molecule is a valuable research tool for studying EGFR/Her2 signaling pathways in both cellular and biochemical assays.
CAS Number
136904-69-3
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
S[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) O[C@H] (CO) [C@H]1O
Molecular Formula
C10H13N5O3S
Molecular Weight
283.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2'-Thioadenosine
CAS Number136904-69-3
PubChem CID10085225
IUPAC Name(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-sulfanyloxolan-3-ol
Molecular FormulaC10H13N5O3S
Molecular Weight283.31
XLogP-0.1
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity338
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)S)N
InChI
InChI=1S/C10H13N5O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(19)6(17)4(1-16)18-10/h2-4,6-7,10,16-17,19H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
VLRCFULRQZKFRM-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of 2'-Thioadenosine
CAS: 136904-69-3
CID: 10085225
Formula: C10H13N5O3S
MW: 283.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.31
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass283.07391047
Monoisotopic Mass283.07391047
Topological Polar Surface Area120 Ų
Heavy Atom Count19
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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MBS58202972'-Thioadenosine
T78634-012′-Thioadenosine
HY-1545212- (4-Methylbenzyl) thioadenosine
TNU0987-012- (4-Cyanobenzyl) thioadenosine
MBS58265792-(4-Methylbenzyl)thioadenosine
MBS58265812-(4-Cyanobenzyl)thioadenosine
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