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SB-505124 hydrochloride

CAT: 0607-A3799-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3799-50Size:50 mg
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Description
ALK5/ALK4/ALK7 inhibitor in TGF-β/activin signalling,selective
CAS Number
356559-13-2
Product Name Alternative
2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine
Sequence
SB 505124 hydrochloride;SB505124 hydrochloride
Field of Research
TGF-β Smad Signaling TGF-βR1(ALK5)
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; ≥87 mg/mL in EtOH; ≥9.3 mg/mL in DMSO
Smiles
CC1=CC=CC(=N1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4.Cl
Molecular Formula
C20H22ClN3O2
Molecular Weight
371.86
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2-(5-benzo(1,3)dioxol-5-yl-2-tert-butyl-3H-imidazol-4-yl)-6-methylpyridine hydrochloride

a selective inhibitor of transforming growth factor-beta type I receptors ALK4, ALK5, and ALK7

CAS Number356559-13-2
PubChem CID16079009
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine;hydrochloride
Molecular FormulaC20H22ClN3O2
Molecular Weight371.9
Topological Polar Surface Area60
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity466
SMILES
CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4.Cl
InChI
InChI=1S/C20H21N3O2.ClH/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15;/h5-10H,11H2,1-4H3,(H,22,23);1H
InChIKey
BTUOOXPZOVNPMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-benzo(1,3)dioxol-5-yl-2-tert-butyl-3H-imidazol-4-yl)-6-methylpyridine hydrochloride
CAS: 356559-13-2
CID: 16079009
Formula: C20H22ClN3O2
MW: 371.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight371.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass371.1400546
Monoisotopic Mass371.1400546
Topological Polar Surface Area60 Ų
Heavy Atom Count26
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes