[CAS NO. 1155419-89-8] BI224436

Name: BI224436
Brand: Arctom Scientific
SKU: HY-18595

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PRODUCTS SPECIFICATIONS [1155419-89-8]

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Catalog

HY-18595

Brand

MCE

CAS

1155419-89-8

DESCRIPTION [1155419-89-8]

Overview

MDL	-
Molecular Weight	442.51
Molecular Formula	C27H26N2O4
SMILES	CC1=C([C@@H](C(O)=O)OC(C)(C)C)[C@@]([C@@]2=CC=C3C4=C2N=CC=C4CCO3)=C5C(C=CC=C5)=N1

For research use only. We do not sell to patients.

5 Publications Citing Use of MCE

Summary

BI 224436 is a novel HIV-1 noncatalytic site integrase inhibitor with EC ₅₀ values of less than 15 nM against different HIV-1 laboratory strains.

IC50 & Target

EC50: 15 nM (HIV-1) ^[1]

In Vitro

BI 224436 has cellular cytotoxicity of more than 90 μM. BI 224436 has a low, 2.1-fold decrease in antiviral potency in the presence of 50% human serum. BI 224436 retains full antiviral activity against recombinant viruses encoding INSTI resistance substitutions N155S, Q148H, and E92Q. BI 224436 displays an additive effect in combination with most approved antiretrovirals, including INSTIs. BI 224436 has drug-like in vitro absorption, distribution, metabolism, and excretion (ADME) properties, including Caco-2 cell permeability, solubility, and low cytochrome P450 inhibition ^[1] .

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

BI 224436 exhibits excellent pharmacokinetic profiles in rat (clearance as a percentage of hepatic flow [CL], 0.7%; bioavailability [F], 54%), monkey (CL, 23%; F, 82%), and dog (CL, 8%; F, 81%) ^[1] .

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase
NCT02183662	Boehringer Ingelheim	Healthy	November 2009	Phase 1
NCT01276990	Boehringer Ingelheim	HIV Infections\|Healthy	January 2011	Phase 1

Appearance

Solid

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years

* The compound is unstable in solutions, freshly prepared is recommended.

Solvent & Solubility

In Vitro:

DMSO : ≥ 50 mg/mL ( 112.99 mM )

* "≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.2598 mL	11.2992 mL	22.5984 mL
5 mM	0.4520 mL	2.2598 mL	4.5197 mL
10 mM	0.2260 mL	1.1299 mL	2.2598 mL

* Please refer to the solubility information to select the appropriate solvent.

In Vivo:

1.

Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline

Solubility: ≥ 2.5 mg/mL (5.65 mM); Clear solution
2.

Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)

Solubility: ≥ 2.5 mg/mL (5.65 mM); Clear solution
3.

Add each solvent one by one: 10% DMSO >> 90% corn oil

Solubility: ≥ 2.5 mg/mL (5.65 mM); Clear solution

* All of the co-solvents are available by MCE.

References

[1] Fenwick C, et al. Preclinical profile of BI 224436, a novel HIV-1 non-catalytic-site integrase inhibitor. Antimicrob Agents Chemother. 2014 Jun;58(6):3233-44.

Synonyms

3-Quinolineacetic acid, 4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-α-(1,1-dimethylethoxy)-2-methyl-, (αS,4R)-

(αS,4R)-4-(2,3-Dihydropyrano[4,3,2-de]quinolin-7-yl)-α-(1,1-dimethylethoxy)-2-methyl-3-quinolineacetic acid

BI 224436

2-(tert-Butoxy)-2-(4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl)acetic acid