GSK-2793660 (free base)

CAT: 0804-HY-112318Size: 1 EachDry Ice: NoHazardous: No

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Description

GSK-2793660 (free base) is an oral, irreversible inhibitor of Cathepsin C (CTSC) . GSK-2793660 (free base) can be used for the research of bronchiectasis[1][2].

CAS Number

1613458-70-0

UNSPSC

12352005

Target

Cathepsin

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/gsk-2793660.html

Solubility

10 mM in DMSO

Smiles

NC1(C(N[C@@H](CC)/C=C/C(N2CCC3=C2C=CC=C3)=O)=O)CCOCC1

Molecular Formula

C20H27N3O3

Molecular Weight

357.45

References & Citations

[1]Szcześniak P, et al. The Synthesis of α, α-Disubstituted α-Amino Acids via Ichikawa Rearrangement. J Org Chem. 2016 Feb 5;81 (3) :1057-74.|[2]Miller BE, et al. Epithelial desquamation observed in a phase I study of an oral cathepsin C inhibitor (GSK2793660) . Br J Clin Pharmacol. 2017 Dec;83 (12) :2813-2820.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 1

Isoform

Cathepsin C

Chemical Information

Gsk-2793660

structure in first source

CAS Number	1613458-70-0
PubChem CID	60144367
IUPAC Name	4-amino-N-[(E,3S)-6-(2,3-dihydroindol-1-yl)-6-oxohex-4-en-3-yl]oxane-4-carboxamide
Molecular Formula	C20H27N3O3
Molecular Weight	357.4
XLogP	1.1
Topological Polar Surface Area	84.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	542

SMILES

CC[C@@H](/C=C/C(=O)N1CCC2=CC=CC=C21)NC(=O)C3(CCOCC3)N

InChI

InChI=1S/C20H27N3O3/c1-2-16(22-19(25)20(21)10-13-26-14-11-20)7-8-18(24)23-12-9-15-5-3-4-6-17(15)23/h3-8,16H,2,9-14,21H2,1H3,(H,22,25)/b8-7+/t16-/m0/s1

InChIKey

IVMRHVTWOHFAKG-WAVCKPEOSA-N

Chemical Structure

2D Structure

CAS: 1613458-70-0

CID: 60144367

Formula: C20H27N3O3

MW: 357.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	357.4
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	357.20524173
Monoisotopic Mass	357.20524173
Topological Polar Surface Area	84.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	542
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GSK-2793660 (free base)

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