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GSK484

CAT: 0013-GTR19236203-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236203-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GSK484 is a potent, selective, and reversible PAD4 inhibitor used in research to study NETosis in vitro and in inflammatory disease models. It is a valuable tool compound for investigating rheumatoid arthritis, lupus, and cancer biology.
CAS Number
1652629-23-6
Field of Research
Epigenetics & Chromatin
Smiles
C (N1C (=CC=2C1=CC=CC2) C=3N (C) C=4C (N3) =CC (C (=O) N5C[C@H] (N) [C@H] (O) CC5) =CC4OC) C6CC6
Molecular Formula
C27H31N5O3
Molecular Weight
473.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gsk484
CAS Number1652629-23-6
PubChem CID86340175
IUPAC Name[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
Molecular FormulaC27H31N5O3
Molecular Weight473.6
XLogP2
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity780
SMILES
CN1C2=C(C=C(C=C2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)N=C1C4=CC5=CC=CC=C5N4CC6CC6
InChI
InChI=1S/C27H31N5O3/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3/t19-,23+/m0/s1
InChIKey
BDYDINKSILYBOL-WMZHIEFXSA-N
Chemical Structure
2D Structure
2D structure of Gsk484
CAS: 1652629-23-6
CID: 86340175
Formula: C27H31N5O3
MW: 473.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.6
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass473.24268987
Monoisotopic Mass473.24268987
Topological Polar Surface Area98.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity780
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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451494-01GSK484
HY-173584GSK484-Ph
TQ0067-01GSK484 hydrochloride
407279GSK484 HCl
HY-100514-01GSK484 (hydrochloride)
HY-100514R-01GSK484 (hydrochloride) (Standard)
A12962-100GSK484 hydrochloride 100mg
A12962-50GSK484 hydrochloride 50mg
A12962-10GSK484 hydrochloride 10mg

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