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SIBA

CAT: 0931-T12908-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T12908-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35899-54-8
Target
Nucleoside Antimetabolite/Analog, Parasite, HSV
Related Pathways
Microbiology/Virology, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Purity
0.9948
Bioactivity
SIBA (5'-Deoxy-5'-isobutylthioadenosine) is a synthetic analogue of SAH, acts as an inhibitor of S-adenosylmethionine-mediated transmethylation. SIBA can interfere with a variety of enzymatic activities in vitro, such as SAH hydrolase, methylthioadenosine phosphorylase and cAMP phosphodiesterase. SIBA reversibly blocks the multiplication of herpes simplex type 1 virus (HSV)
Smiles
CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Molecular Formula
C14H21N5O3S
Molecular Weight
339.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5'-deoxy-5'-S-isobutylthioadenosine

considered an analog of S-adenosylhomocysteine; structure

CAS Number35899-54-8
PubChem CID123674
IUPAC Name(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
Molecular FormulaC14H21N5O3S
Molecular Weight339.42
XLogP1.1
Topological Polar Surface Area145
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity405
SMILES
CC(C)CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C14H21N5O3S/c1-7(2)3-23-4-8-10(20)11(21)14(22-8)19-6-18-9-12(15)16-5-17-13(9)19/h5-8,10-11,14,20-21H,3-4H2,1-2H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
InChIKey
JDDUQGRUPLKDNT-IDTAVKCVSA-N
Chemical Structure
2D Structure
2D structure of 5'-deoxy-5'-S-isobutylthioadenosine
CAS: 35899-54-8
CID: 123674
Formula: C14H21N5O3S
MW: 339.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.42
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass339.13651072
Monoisotopic Mass339.13651072
Topological Polar Surface Area145 Ų
Heavy Atom Count23
Formal Charge0
Complexity405
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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Alternative Products

CatalogName
BA1994-5SIBA
A20852-200SIBA 200mg
A20852-100SIBA 100mg
A20852-1SIBA 1mg
A20852-50SIBA 50mg
A20852-10SIBA 10mg
A20852-25SIBA 25mg
A20852-5SIBA 5mg
MBS131159-01SIBA, 5'-Isobutylthioadenosine
A20852-10mM-DSIBA 10mM * 1mL in DMSO

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