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LDN-212854 100mg

CAT: 0628-A12821-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A12821-100Size:100 mg
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CAS Number
1432597-26-6

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
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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

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B3687-50LDN-212854
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