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SIBA

CAT: 0013-GTR19175799-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175799-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SIBA is a synthetic S-adenosylhomocysteine (SAH) analogue that acts as a broad inhibitor of S-adenosylmethionine-dependent transmethylation. It inhibits enzymes like SAH hydrolase and has demonstrated antiviral activity, reversibly blocking herpes simplex virus type 1 (HSV-1) replication in vitro.
CAS Number
35899-54-8
Product Name Alternative
Chick embryo fibroblasts, 5'-Isobutylthioadenosine, 5'-Deoxy-5'-isobutylthioadenosine, 3 LL, Analog, cancer, HSV, HSV-1, HEp2, Herpes simplex virus, malaria, NucleosideAntimetabolite, Nucleoside Antimetabolite, Nucleoside Antimetabolite/Analog, Parasite, inhibit, Inhibitor, SIBA, SAH, RMS-J1
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Purity
99.15% (May vary between batches)
Solubility
DMSO:90 mg/mL (265.17 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (9.72 mM)
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
Storage Conditions
-20°C
Notes
For research use only.

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

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BA1994-5SIBA
A20852-200SIBA 200mg
A20852-100SIBA 100mg
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A20852-50SIBA 50mg
A20852-10SIBA 10mg
A20852-25SIBA 25mg
A20852-5SIBA 5mg
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