| Identification | Back Directory | [Name]
LDN-214117 | [CAS]
1627503-67-6 | [Synonyms]
CS-1539
LDN-214117
LDN-214117;LDN214117
LDN-214117 USP/EP/BP
1-[4-[6-Methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
1-(4-(6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenyl)piperazine
Piperazine, 1-[4-[6-methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]- | [Molecular Formula]
C25H29N3O3 | [MDL Number]
MFCD28168043 | [MOL File]
1627503-67-6.mol | [Molecular Weight]
419.52 |
| Chemical Properties | Back Directory | [Boiling point ]
567.9±50.0 °C(Predicted) | [density ]
1.134±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMF:30.0(Max Conc. mg/mL);71.51(Max Conc. mM)
DMF:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.19(Max Conc. mM)
DMSO:42.67(Max Conc. mg/mL);101.7(Max Conc. mM)
Ethanol:54.0(Max Conc. mg/mL);128.72(Max Conc. mM) | [form ]
Powder | [pka]
8.86±0.10(Predicted) | [color ]
Light yellow to yellow | [InChI]
1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3 | [InChIKey]
BHUXVRVMMYAXKN-UHFFFAOYSA-N | [SMILES]
CC(C(C1=CC(OC)=C(OC)C(OC)=C1)=C2)=NC=C2C(C=C3)=CC=C3N4CCNCC4 |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [WGK Germany ]
WGK 3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Uses]
LDN 214117 is a highly selective ALK2 inhibitor. | [Biological Activity]
LDN-214117 is a selective inhibitor of the bone morphogenetic protein (BMP) type I receptor kinases with high selectivity for BMP versus TGF-β signalingand low cytotoxicity. LDN-214117 inhibited ALK2 mostwith a biochemical IC50 of 24 nMfollowed by TNIKRIPK2and ABL1. LDN-214117 has a cell-based IC50 for BMP6 of approximately 100 nM and 164-fold selectivity for BMP6 versus TGF-β1. Fibrodysplasia ossificans progressiva (FOP) is a debilitating and progressive heterotopic ossification disease caused by activating mutations of ACVR1 encoding the BMP type I receptor kinase ALK2. LDN-214117 had nearly identical binding affinity for wild-type ALK2 and each of the FOP-causing mutants tested. | [in vivo]
LDN-214117 (p.o., 25 mg/kg, daily, for 14 days) has well-tolerated in mice[3].
| Animal Model: | NOD.SCID mice[3] | | Dosage: | 25 mg/kg | | Administration: | p.o., daily, for 14 days | | Result: | Showed good-tolerated in mice. |
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