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LDN-193189 2HCl

CAT: 1568-C12737-50mgSize: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C12737-50mgSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1435934-00-1
Synonyms
DM-3189 2HCl
Target
TGF-beta/Smad
Applications
TGF-beta/Smad
Smiles
C1CN (CCN1) C2=CC=C (C=C2) C3=CN4C (=C (C=N4) C5=CC=NC6=CC=CC=C56) N=C3.Cl.Cl
Molecular Formula
C25H24Cl2N6
Additionnal Information
LDN-193189 (DM3189) 2HCl is a selective BMP signaling inhibitor, inhibits the ALK1, ALK2, ALK3 and ALK6 with IC50s of 0.8 nM, 0.8 nM, 5.3 nM and 16.7 nM in the kinase assay, respectively. LDN-193189 inhibits the transcriptional activity of the BMP type I receptors ALK2 and ALK3 with IC50s of 5 nM and 30 nM in C2C12 cells, respectively, exhibits 200-fold selectivity for BMP versus TGF-β.
Storage Conditions
2 years -80 in solvent

Chemical Information

LDN 193189 dihydrochloride
CAS Number1435934-00-1
PubChem CID91900717
IUPAC Name4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;dihydrochloride
Molecular FormulaC25H24Cl2N6
Molecular Weight479.4
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity587
SMILES
C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3.Cl.Cl
InChI
InChI=1S/C25H22N6.2ClH/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;;/h1-10,15-17,26H,11-14H2;2*1H
InChIKey
CMQXLLAILGGLRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LDN 193189 dihydrochloride
CAS: 1435934-00-1
CID: 91900717
Formula: C25H24Cl2N6
MW: 479.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass478.1439502
Monoisotopic Mass478.1439502
Topological Polar Surface Area58.4 Ų
Heavy Atom Count33
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 Count3
Compound Is CanonicalizedYes

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