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GSK2793660 HCl

CAT: 0013-GTR19198002-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198002-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GSK2793660 is an irreversible covalent inhibitor of dipeptidyl peptidase 1 (DPP1) featuring an α, β-unsaturated amide warhead. It is a research tool for investigating neutrophil serine protease activation and has been utilized in both in vitro biochemical assays and in vivo models of inflammatory disease.
CAS Number
1613458-79-9
Field of Research
Protein Biochemistry
Smiles
C (/C=C/[C@@H] (NC (=O) C1 (N) CCOCC1) CC (C) C) (=O) N2C=3C (CC2) =CC=CC3.Cl
Molecular Formula
C22H32ClN3O3
Molecular Weight
421.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S,E)-4-Amino-N-(1-(indolin-1-yl)-6-methyl-1-oxohept-2-en-4-yl)tetrahydro-2H-pyran-4-carboxamide hydrochloride
CAS Number1613458-79-9
PubChem CID86704319
IUPAC Name4-amino-N-[(E,4S)-1-(2,3-dihydroindol-1-yl)-6-methyl-1-oxohept-2-en-4-yl]oxane-4-carboxamide;hydrochloride
Molecular FormulaC22H32ClN3O3
Molecular Weight422.0
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity584
SMILES
CC(C)C[C@@H](/C=C/C(=O)N1CCC2=CC=CC=C21)NC(=O)C3(CCOCC3)N.Cl
InChI
InChI=1S/C22H31N3O3.ClH/c1-16(2)15-18(24-21(27)22(23)10-13-28-14-11-22)7-8-20(26)25-12-9-17-5-3-4-6-19(17)25;/h3-8,16,18H,9-15,23H2,1-2H3,(H,24,27);1H/b8-7+;/t18-;/m1./s1
InChIKey
OJLKEWKIRMKTMI-NGVIVVQLSA-N
Chemical Structure
2D Structure
2D structure of (S,E)-4-Amino-N-(1-(indolin-1-yl)-6-methyl-1-oxohept-2-en-4-yl)tetrahydro-2H-pyran-4-carboxamide hydrochloride
CAS: 1613458-79-9
CID: 86704319
Formula: C22H32ClN3O3
MW: 422.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass421.2132196
Monoisotopic Mass421.2132196
Topological Polar Surface Area84.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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