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GLPG-1837

CAT: 0013-GTR19163602-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163602-02Size:2 mg
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Description
GLPG-1837 (ABBV-974) is a potent, orally available CFTR potentiator with EC50 of 3 nM and 339 nM on F508del and G551D CFTR, respectively; shows enhanced efficacy on CFTR mutants harboring Class III mutations compared to Ivacaftor.Cystic Fibrosis, Phase 2 Clinical (In Vitro) :GLPG1837 is a potent CFTR potentiator, with EC50s of 3 nM and 339 nM for F508del and G551D CFTR, respectively. GLPG1837 increases the conductivity of the G551D CFTR channel with obtained potency of 181 nM. GLPG1837 is reversible CFTR potentiator, with a the apparent affinity within a range of 0.2~2 μM.
CAS Number
1654725-02-6
Product Name Alternative
GLPG1837 | GLPG 1837 | ABBV-974
Purity
>98% (HPLC)
Solubility
Ethanol: 5 mg/mL; Water: Insoluble; DMSO: 60 mg/mL (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
O=C (C1=NNC=C1) NC (S2) =C (C (N) =O) C3=C2C (C) (C) OC (C) (C) C3
Molecular Formula
C16H20N4O3S
Molecular Weight
348.421
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N- (3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl) -1H-pyrazole-5-carboxamide

Chemical Information

Glpg-1837

a cystic fibrosis transmembrane conductance regulator (CFTR) potentiator

CAS Number1654725-02-6
PubChem CID117857370
IUPAC NameN-(3-carbamoyl-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-5-carboxamide
Molecular FormulaC16H20N4O3S
Molecular Weight348.4
XLogP1.8
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity539
SMILES
CC1(CC2=C(C(O1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC=NN3)C
InChI
InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)
InChIKey
GHTGYZMBQPXTCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glpg-1837
CAS: 1654725-02-6
CID: 117857370
Formula: C16H20N4O3S
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass348.12561169
Monoisotopic Mass348.12561169
Topological Polar Surface Area138 Ų
Heavy Atom Count24
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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