ABBV-3221 | CAS#2222264-64-2 | CFTR corrector

MedKoo Cat#: 555689 | Name: ABBV-3221

Description:

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

ABBV-3221, also known as GLPG-3221, is a Potent Corrector of CFTR for the Treatment of Cystic Fibrosis.

Chemical Structure

ABBV-3221

CAS#2222264-64-2

Theoretical Analysis

MedKoo Cat#: 555689

Name: ABBV-3221

CAS#: 2222264-64-2

Chemical Formula: C30H37F3N2O6

Exact Mass: 578.2604

Molecular Weight: 578.63

Elemental Analysis: C, 62.27; H, 6.45; F, 9.85; N, 4.84; O, 16.59

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

GLPG-3221; GLPG 3221; GLPG\3221; ABBV-3221; ABBV 3221; ABBV\3221;

IUPAC/Chemical Name

(2S,3R,4S,5S)-3-(tert-butyl)-4-((2-methoxy-5-(trifluoromethyl)pyridin-3-yl)methoxy)-1-((S)-tetrahydro-2H-pyran-2-carbonyl)-5-(o-tolyl)pyrrolidine-2-carboxylic acid

InChi Key

YFEYDNAKCSOOOG-YCXOGWGTSA-N

InChi Code

InChI=1S/C30H37F3N2O6/c1-17-10-6-7-11-20(17)23-25(41-16-18-14-19(30(31,32)33)15-34-26(18)39-5)22(29(2,3)4)24(28(37)38)35(23)27(36)21-12-8-9-13-40-21/h6-7,10-11,14-15,21-25H,8-9,12-13,16H2,1-5H3,(H,37,38)/t21-,22+,23-,24-,25-/m0/s1

SMILES Code

O=C([C@H]1N(C([C@@H]2CCCCO2)=O)[C@@H](C3=CC=CC=C3C)[C@@H](OCC4=CC(C(F)(F)F)=CN=C4OC)[C@@H]1C(C)(C)C)O

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

>3 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

Cystic fibrosis (CF) is a genetic disorder that affects multiple tissues and organs. CF is caused by mutations in the CFTR gene, resulting in insufficient or impaired cystic fibrosis transmembrane conductance regulator (CFTR) protein. The deletion of phenylalanine at position 508 of the protein (F508del-CFTR) is the most common mutation observed in CF patients. The most effective treatments of these patients employ two CFTR modulator classes, correctors and potentiators. CFTR correctors increase protein levels at the cell surface; CFTR potentiators enable the functional opening of CFTR channels at the cell surface. Triple-combination therapies utilize two distinct corrector molecules (C1 and C2) to further improve the overall efficacy.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 578.63 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

Discovery of ABBV/GLPG-3221, a Potent Corrector of CFTR for the Treatment of Cystic Fibrosis Marc J. C. Scanio*Xenia B. SearleBo LiuJohn R. KoenigRobert AltenbachGregory A. GfesserAndrew BogdanStephen GreszlerGang ZhaoAshvani SinghYihong FanAndrew M. SwensenTimothy VorthermsArlene ManelliCorina BalutYing JiaWenqing GaoHong YongMichael SchrimpfChris TsePhilip KymXueqing Wang Cite this: ACS Med. Chem. Lett. 2019, XXXX, XXX, XXX-XXX Publication Date:October 31, 2019 https://doi-org.proxy006.nclive.org/10.1021/acsmedchemlett.9b00377 Copyright © 2019 American Chemical Society