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Chemical structure of SIBA

GC33442

SIBA

Also known as (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol

SIBA (5'-Isobutylthioadenosine) is a transmethylation inhibitor (SAH analogue), with potent anti-proliferative activity

ChemicalCAS35899-54-8MW339.41FormulaC14H21N5O3S
CAS number
35899-54-8
Molecular weight
339.41
Formula
C14H21N5O3S
Solubility
DMSO ： ≥ 100 mg/mL (294·63 mM)
InChIKey
JDDUQGRUPLKDNT-IDTAVKCVSA-N
Catalogue number
GC33442
Brand
GLPBIO
Computed properties PubChem CID 123674 · XLogP 1.1 · TPSA 145 Ų · H-bond donors 3
XLogP
1.1
TPSA
145 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
23

SMILES CC(C)CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

Computed descriptors from PubChem (CID 123674), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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