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LDN212854

CAT: 0013-GTR19163232-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163232-07Size:50 mg
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Description
LDN-212854 is a novel BMP inhibitor that exhibits substantially greater selectivity for BMP versus the TGF-β type I receptors; possesses a bias towards ALK2 (IC50=1.3 nM) versus ALK1 and ALK3 compared to other inhibitors.
CAS Number
1432597-26-6
Product Name Alternative
LDN212854 | LDN 212854 | LDN-212854
Purity
>98% (HPLC)
Solubility
DMSO: 81 mg/mL warmed (199.27 mM)
Smiles
C12=C (C3=C4N=CC (C5=CC=C (N6CCNCC6) C=C5) =CN4N=C3) C=CC=C1N=CC=C2
Molecular Formula
C25H22N6
Molecular Weight
406.48
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
5- (6- (4- (piperazin-1-yl) phenyl) pyrazolo[1,5-a]pyrimidin-3-yl) quinoline

Chemical Information

Ldn-212854

LDN-212854 is a member of the class of quinolines that is quinoline substituted by a 6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl group at position 5. It is a potent ALK inhibitor (IC50 values of 2.4, 1.3, 85.8, 2,133 and 9,276 nM for ALK1, ALK2, ALK3, ALK4 and ALK5, respectively). It has a role as an EC 2.7.11.30 (receptor protein serine/threonine kinase) inhibitor, an antineoplastic agent and an angiogenesis inhibitor. It is a member of quinolines, a pyrazolopyrimidine and a N-arylpiperazine.

CAS Number1432597-26-6
PubChem CID60182388
IUPAC Name5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Molecular FormulaC25H22N6
Molecular Weight406.5
XLogP3.3
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity587
SMILES
C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=C6C=CC=NC6=CC=C5)N=C3
InChI
InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
InChIKey
BBDGBGOVJPEFBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ldn-212854
CAS: 1432597-26-6
CID: 60182388
Formula: C25H22N6
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass406.19059473
Monoisotopic Mass406.19059473
Topological Polar Surface Area58.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS576671LDN212854
217225BMP Inhibitor III, LDN-212854 (Abl Inhibitor V, LDN212854, Bone Morphogenetic Protein Inhibitor III, PDGFR Tyrosine Kinase Inhibitor XXIV, RIP2 Inhibitor I, RIPK2 Inhibitor I, 5- (6- (4- (Piperazin-1-yl) phenyl) pyrazolo[1,5-a]pyrimidin-3-yl) quinoline)

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