ABBV-3221

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

MedKoo CAT#: 555689

CAS#: 2222264-64-2

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


Chemical Structure

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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: 578.6292
Elemental Analysis: C, 62.27; H, 6.45; F, 9.85; N, 4.84; O, 16.59

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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

Preparing Stock Solutions

The following data is based on the product molecular weight 578.6292 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

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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



Additional Information

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.