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MedKoo Cat#: 406619 | Name: LDN-214117
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

LDN-214117 is a selective and potent ALK2 inhibitor. LDN-214117 inhibited ALK2 most, with a biochemical IC50 of 24 nM. There are currently no effective therapies for fibrodysplasia ossificans progressiva (FOP), a debilitating and progressive heterotopic ossification disease caused by activating mutations of ACVR1 encoding the BMP type I receptor kinase ALK2. LDN-214117 shows a high degree of selectivity for ALK2 and low cytotoxicity that could provide a template for preclinical development.

Chemical Structure

LDN-214117
LDN-214117
CAS#1627503-67-6

Theoretical Analysis

MedKoo Cat#: 406619

Name: LDN-214117

CAS#: 1627503-67-6

Chemical Formula: C25H29N3O3

Exact Mass: 419.2209

Molecular Weight: 419.53

Elemental Analysis: C, 71.57; H, 6.97; N, 10.02; O, 11.44

Price and Availability

Size Price Availability Quantity
10mg USD 190.00
25mg USD 350.00
50mg USD 550.00
100mg USD 850.00
200mg USD 1,250.00
500mg USD 2,150.00
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Related CAS #
No Data
Synonym
LDN214117; LDN 214117; LDN-214117.
IUPAC/Chemical Name
1-(4-(6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenyl)piperazine
InChi Key
BHUXVRVMMYAXKN-UHFFFAOYSA-N
InChi Code
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
SMILES Code
COC1=C(OC)C(OC)=CC(C2=C(C)N=CC(C3=CC=C(N4CCNCC4)C=C3)=C2)=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
        
Product Data
Product Data
Instruction
View handling instruction
Biological target:
LDN-214117 is an orally active ALK2 inhibitor with well-tolerated and good brain penetration.
In vitro activity:
BMP signaling inhibition resulted in LCLC-103H cell apoptosis and necrosis 72 h after LDN-214117 treatment. Cell growth and proliferation are markedly affected by BMP signaling inhibition. Chemotactic motility and migratory ability of LCLC-103H cells were clearly hampered by LDN-214117 treatment. Reference: J Cancer Res Clin Oncol. 2019 Nov;145(11):2675-2687. https://pubmed.ncbi.nlm.nih.gov/31531741/
In vivo activity:
Treatment of immunodeprived mice bearing orthotopic xenografts of H3.3K27M, ACVR1R206H mutant HSJD-DIPG-007 cells with 25 mg/kg LDN-193189 or LDN-214117 for 28 days extended survival compared with vehicle controls. Reference: Commun Biol. 2019 May 9;2:156. https://pubmed.ncbi.nlm.nih.gov/31098401/
Solvent mg/mL mM
Solubility
DMF 30.0 71.51
DMF:PBS (pH 7.2) (1:1) 0.5 1.19
DMSO 42.7 101.70
Ethanol 54.0 128.72
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 419.53 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Mihajlović J, Diehl LAM, Hochhaus A, Clement JH. Inhibition of bone morphogenetic protein signaling reduces viability, growth and migratory potential of non-small cell lung carcinoma cells. J Cancer Res Clin Oncol. 2019 Nov;145(11):2675-2687. doi: 10.1007/s00432-019-03026-7. Epub 2019 Sep 17. PMID: 31531741. 2. Mohedas AH, Wang Y, Sanvitale CE, Canning P, Choi S, Xing X, Bullock AN, Cuny GD, Yu PB. Structure-activity relationship of 3,5-diaryl-2-aminopyridine ALK2 inhibitors reveals unaltered binding affinity for fibrodysplasia ossificans progressiva causing mutants. J Med Chem. 2014 Oct 9;57(19):7900-15. doi: 10.1021/jm501177w. Epub 2014 Sep 4. PMID: 25101911; PMCID: PMC4191596. 3. Carvalho D, Taylor KR, Olaciregui NG, Molinari V, Clarke M, Mackay A, Ruddle R, Henley A, Valenti M, Hayes A, Brandon AH, Eccles SA, Raynaud F, Boudhar A, Monje M, Popov S, Moore AS, Mora J, Cruz O, Vinci M, Brennan PE, Bullock AN, Carcaboso AM, Jones C. ALK2 inhibitors display beneficial effects in preclinical models of ACVR1 mutant diffuse intrinsic pontine glioma. Commun Biol. 2019 May 9;2:156. doi: 10.1038/s42003-019-0420-8. PMID: 31098401; PMCID: PMC6509210. 4. Dinter T, Bocobo GA, Yu PB. Pharmacologic Strategies for Assaying BMP Signaling Function. Methods Mol Biol. 2019;1891:221-233. doi: 10.1007/978-1-4939-8904-1_16. PMID: 30414136; PMCID: PMC6710826.
In vitro protocol:
1. Mihajlović J, Diehl LAM, Hochhaus A, Clement JH. Inhibition of bone morphogenetic protein signaling reduces viability, growth and migratory potential of non-small cell lung carcinoma cells. J Cancer Res Clin Oncol. 2019 Nov;145(11):2675-2687. doi: 10.1007/s00432-019-03026-7. Epub 2019 Sep 17. PMID: 31531741. 2. Mohedas AH, Wang Y, Sanvitale CE, Canning P, Choi S, Xing X, Bullock AN, Cuny GD, Yu PB. Structure-activity relationship of 3,5-diaryl-2-aminopyridine ALK2 inhibitors reveals unaltered binding affinity for fibrodysplasia ossificans progressiva causing mutants. J Med Chem. 2014 Oct 9;57(19):7900-15. doi: 10.1021/jm501177w. Epub 2014 Sep 4. PMID: 25101911; PMCID: PMC4191596.
In vivo protocol:
1. Carvalho D, Taylor KR, Olaciregui NG, Molinari V, Clarke M, Mackay A, Ruddle R, Henley A, Valenti M, Hayes A, Brandon AH, Eccles SA, Raynaud F, Boudhar A, Monje M, Popov S, Moore AS, Mora J, Cruz O, Vinci M, Brennan PE, Bullock AN, Carcaboso AM, Jones C. ALK2 inhibitors display beneficial effects in preclinical models of ACVR1 mutant diffuse intrinsic pontine glioma. Commun Biol. 2019 May 9;2:156. doi: 10.1038/s42003-019-0420-8. PMID: 31098401; PMCID: PMC6509210. 2. Dinter T, Bocobo GA, Yu PB. Pharmacologic Strategies for Assaying BMP Signaling Function. Methods Mol Biol. 2019;1891:221-233. doi: 10.1007/978-1-4939-8904-1_16. PMID: 30414136; PMCID: PMC6710826.
 1: Mohedas AH, Wang Y, Sanvitale CE, Canning P, Choi S, Xing X, Bullock AN, Cuny GD, Yu PB. Structure-activity relationship of 3,5-diaryl-2-aminopyridine ALK2 inhibitors reveals unaltered binding affinity for fibrodysplasia ossificans progressiva causing mutants. J Med Chem. 2014 Oct 9;57(19):7900-15. doi: 10.1021/jm501177w. Epub 2014 Sep 4. PubMed PMID: 25101911; PubMed Central PMCID: PMC4191596.