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Adenosine 2'-PEG-Biotin

CAT: 0804-HY-D2361Size: 1 EachDry Ice: NoHazardous: No
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Description
Adenosine 2'-PEG-Biotin is a biochemical reagent derived from adenosine. Adenosine 2'-PEG-Biotin regulates cell signaling pathways by mimicking the effects of endogenous adenosine and binding to its receptors. Adenosine 2'-PEG-Biotin can be used in the research of bioprobes, biosensors and diagnostic reagents[1].
CAS Number
362028-97-5
UNSPSC
12171500
Target
Nucleoside Antimetabolite/Analog
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/adenosine-2-peg-biotin.html
Smiles
O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)N2C3=NC=NC(NCCOCCOCCNC(CCCC[C@H]4[C@]5([H])[C@](NC(N5)=O)([H])CS4)=O)=C3N=C2
Molecular Formula
C26H40N8O8S
Molecular Weight
624.71
References & Citations
[1]Golisade A, et al. Biotin labelling of amines by polymer-assisted solution-phase synthesis[J]. Bioorganic & medicinal chemistry letters, 2001, 11 (13) : 1783-1786.
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Adenosine 2'-PEG-Biotin
CAS Number362028-97-5
PubChem CID101137396
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC26H40N8O8S
Molecular Weight624.7
XLogP-0.8
Topological Polar Surface Area240
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count17
Heavy Atom Count43
Formal Charge0
Complexity913
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)N2
InChI
InChI=1S/C26H40N8O8S/c35-11-16-21(37)22(38)25(42-16)34-14-31-20-23(29-13-30-24(20)34)28-6-8-41-10-9-40-7-5-27-18(36)4-2-1-3-17-19-15(12-43-17)32-26(39)33-19/h13-17,19,21-22,25,35,37-38H,1-12H2,(H,27,36)(H,28,29,30)(H2,32,33,39)/t15-,16+,17-,19-,21+,22+,25+/m0/s1
InChIKey
HEAZWSAEGJYETH-LDAIXZEYSA-N
Chemical Structure
2D Structure
2D structure of Adenosine 2'-PEG-Biotin
CAS: 362028-97-5
CID: 101137396
Formula: C26H40N8O8S
MW: 624.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight624.7
XLogP3-0.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count17
Exact Mass624.26898144
Monoisotopic Mass624.26898144
Topological Polar Surface Area240 Ų
Heavy Atom Count43
Formal Charge0
Complexity913
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes