149556-49-0 | 2-Hydroxy-5-[2-[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]ethynyl]benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
10mg	98%	2 weeks	$611.00	$428.00
25mg	98%	2 weeks	$1,005.00	$704.00

Description

• Catalog Number: AF17519
• Chemical Name: 2-Hydroxy-5-[2-[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]ethynyl]benzoic acid
• CAS Number: 149556-49-0
• Molecular Formula: C21H16N2O5S
• Molecular Weight: 408.4271
• MDL Number: MFCD00867572
• SMILES: Cc1cccnc1NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(c(c1)C(=O)O)O

Computed Properties

• Complexity: 742
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 29
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 3
• Rotatable Bond Count: 6
• XLogP3: 3.8

Literature

• Inhibition of xc⁻ transporter-mediated cystine uptake by sulfasalazine analogs.

  Bioorganic & medicinal chemistry letters 20111015

• Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.

  Journal of pharmaceutical sciences 20050701