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GSK484 HCl

CAT: 1568-C12960-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C12960-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1652591-81-5
Synonyms
GSK484 hydrochloride
Target
PAD
Applications
Metabolism
Smiles
CN1C2=C (C=C (C=C2OC) C (=O) N3CCC (C (C3) N) O) N=C1C4=CC5=CC=CC=C5N4CC6CC6.Cl
Molecular Formula
C27H32ClN5O3
Additionnal Information
GSK484 HCl, a benzoimidazole derivative, is a selective and reversible inhibitor of peptidylarginine deiminase 4 (PAD4) with IC50 of 50 nM in the absence of Calcium.
Storage Conditions
3 years -20°C powder

Chemical Information

((3S,4R)-3-Amino-4-hydroxypiperidin-1-yl)(2-(1-(cyclopropylmethyl)-1H-indol-2-yl)-7-methoxy-1-methyl-1H-benzo[d]imidazol-5-yl)methanone hydrochloride
CAS Number1652591-81-5
PubChem CID86340151
IUPAC Name[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride
Molecular FormulaC27H32ClN5O3
Molecular Weight510.0
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count36
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.Cl
InChI
InChI=1S/C27H31N5O3.ClH/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;1H/t19-,23+;/m0./s1
InChIKey
MULKOGJHUZTANI-ADMBKAPUSA-N
Chemical Structure
2D Structure
2D structure of ((3S,4R)-3-Amino-4-hydroxypiperidin-1-yl)(2-(1-(cyclopropylmethyl)-1H-indol-2-yl)-7-methoxy-1-methyl-1H-benzo[d]imidazol-5-yl)methanone hydrochloride
CAS: 1652591-81-5
CID: 86340151
Formula: C27H32ClN5O3
MW: 510.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass509.2193676
Monoisotopic Mass509.2193676
Topological Polar Surface Area98.5 Ų
Heavy Atom Count36
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19236203-01GSK484
HY-173584GSK484-Ph
407279GSK484 HCl
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HY-100514-01GSK484 (hydrochloride)
HY-100514R-01GSK484 (hydrochloride) (Standard)
A12962-100GSK484 hydrochloride 100mg
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A12962-10GSK484 hydrochloride 10mg

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