LAS101057 | LAS 101057 | CAS#925676-48-8 | Adenosine Receptor Antagonist

MedKoo Cat#: 526720 | Name: LAS101057

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Description:

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

LAS101057 is a Potent, Selective, and Orally Efficacious A2B Adenosine Receptor Antagonist. (last updated: 6/30/2016). LAS101057 inhibits agonist-induced IL-6 production in human fibroblasts and is active in an ovalbumin (OVA)-sensitized mouse model after oral administration, reducing airway hyperresponsiveness to methacholine, Th2 cytokine production, and OVA-specific IgE levels.

Chemical Structure

LAS101057

CAS#925676-48-8

Theoretical Analysis

MedKoo Cat#: 526720

Name: LAS101057

CAS#: 925676-48-8

Chemical Formula: C18H14FN5O

Exact Mass: 335.1182

Molecular Weight: 335.34

Elemental Analysis: C, 64.47; H, 4.21; F, 5.67; N, 20.88; O, 4.77

Price and Availability

Size	Price	Availability	Quantity
25mg	USD 450.00	2 Weeks
50mg	USD 850.00	2 Weeks

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Related CAS #

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Synonym

LAS101057; LAS-101057; LAS 101057.

IUPAC/Chemical Name

N-(5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)pyrazin-2-yl)cyclopropanecarboxamide

InChi Key

XUYURJQIMYCWBB-UHFFFAOYSA-N

InChi Code

InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)

SMILES Code

O=C(C1CC1)NC2=NC(C3=CC=CN=C3)=C(C4=C(F)C=NC=C4)N=C2

Appearance

Solid powder

Purity

>95% (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

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Product Data

Product Data

Instruction

View handling instruction

Biological target:

LAS101057 is a potent, selective, and orally efficacious A2B receptor antagonist.

In vitro activity:

Given that the A2B receptor is known to mediate the release of the pro-inflammatory cytokine IL-6 through a mechanism dependent on the cAMP/cAMP response element binding (CREB) signaling pathway, it was decided to test the effect of 17 (LAS101057) on NECA-induced IL-6 release in human primary dermal fibroblasts as an additional means of demonstrating blockade of A2B receptor function. In this assay, 17 effected a concentration-dependent down-regulation of IL-6 production with a potency (67% ± 2 at 100 nM) that was in a similar range to that seen in both the A2B receptor radioligand binding and cAMP assays. Reference: ACS Med Chem Lett. 2010 Dec 20;2(3):213-8. https://pubmed.ncbi.nlm.nih.gov/24900298/

In vivo activity:

As shown in Figure 1, 17 (LAS101057) reduced the increase of lung resistance in mice induced by methacholine. LAS101057 was active in preventing methacholine-induced AHR at 3 mg/kg, and at 10 mg/kg it inhibited AHR to methacholine to a level virtually equal to that seen with dexamethasone at 1 mg/kg. Reference: ACS Med Chem Lett. 2010 Dec 20;2(3):213-8. https://pubmed.ncbi.nlm.nih.gov/24900298/

	Solvent	mg/mL	mM
Solubility
	DMSO	125.0	372.75

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 335.34 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.

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. Eastwood P, Esteve C, González J, Fonquerna S, Aiguadé J, Carranco I, Doménech T, Aparici M, Miralpeix M, Albertí J, Córdoba M, Fernández R, Pont M, Godessart N, Prats N, Loza MI, Cadavid MI, Nueda A, Vidal B. Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A2B Adenosine Receptor Antagonist. ACS Med Chem Lett. 2010 Dec 20;2(3):213-8. doi: 10.1021/ml100249e. PMID: 24900298; PMCID: PMC4018059.

In vitro protocol:

In vivo protocol:

1: Eastwood P, Esteve C, González J, Fonquerna S, Aiguadé J, Carranco I, Doménech T, Aparici M, Miralpeix M, Albertí J, Córdoba M, Fernández R, Pont M, Godessart N, Prats N, Loza MI, Cadavid MI, Nueda A, Vidal B. Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A2B Adenosine Receptor Antagonist. ACS Med Chem Lett. 2010 Dec 20;2(3):213-8. doi: 10.1021/ml100249e. eCollection 2011 Mar 10. PubMed PMID: 24900298; PubMed Central PMCID: PMC4018059.