Benafentrine dimaleate

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MedKoo CAT#: 528323

CAS#: 76166-55-7

Description: Benafentrine dimaleate is a phosphodiesterase (PDE) 3/4 inhibitors and platelet activating factor receptor (PAFR) antagonists potentially for the treatment asthma.


Price and Availability

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Pricing updated 2020-10-30. Prices are subject to change without notice.

Benafentrine dimaleate is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 528323
Name: Benafentrine dimaleate
CAS#: 76166-55-7
Chemical Formula: C31H35N3O11
Exact Mass:
Molecular Weight: 625.631
Elemental Analysis: C, 59.51; H, 5.64; N, 6.72; O, 28.13


Related CAS #: 76166-55-7 (dimaleate); 35135-01-4 (free)  

Synonym: Benafentrine dimaleate; Benafentrine

IUPAC/Chemical Name: N-(4-((4aR,10bS)-8,9-dimethoxy-2-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][1,6]naphthyridin-6-yl)phenyl)acetamide dimaleate

InChi Key: BWJFLHODOYZAML-DNEAOJAHSA-N

InChi Code: InChI=1S/C23H27N3O3.2C4H4O4/c1-14(27)24-16-7-5-15(6-8-16)23-18-12-22(29-4)21(28-3)11-17(18)19-13-26(2)10-9-20(19)25-23;2*5-3(6)1-2-4(7)8/h5-8,11-12,19-20H,9-10,13H2,1-4H3,(H,24,27);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-/t19-,20-;;/m1../s1

SMILES Code: CC(NC1=CC=C(C2=N[C@]3([H])CCN(C)C[C@]3([H])C4=CC(OC)=C(OC)C=C24)C=C1)=O.O=C(O)/C=C\C(O)=O.O=C(O)/C=C\C(O)=O


Technical Data

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

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


References

1: Kelly JJ, Barnes PJ, Giembycz MA. Phosphodiesterase 4 in macrophages: relationship between cAMP accumulation, suppression of cAMP hydrolysis and inhibition of [3H]R-(-)-rolipram binding by selective inhibitors. Biochem J. 1996 Sep 1;318 ( Pt 2):425-36. PubMed PMID: 8809029; PubMed Central PMCID: PMC1217639.

2: Seldon PM, Barnes PJ, Meja K, Giembycz MA. Suppression of lipopolysaccharide-induced tumor necrosis factor-alpha generation from human peripheral blood monocytes by inhibitors of phosphodiesterase 4: interaction with stimulants of adenylyl cyclase. Mol Pharmacol. 1995 Oct;48(4):747-57. PubMed PMID: 7476903.