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GSK 690 Hydrochloride

CAT: 0013-GTR19205693-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205693-01Size:100 mg
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Description
GSK690 hydrochloride is a potent and reversible inhibitor of lysine-specific demethylase 1 (LSD1), exhibiting a Kd of 9 nM and an IC50 of 37 nM. This small molecule is a valuable research tool for studying epigenetic regulation in cancer and other diseases, with applications in both in vitro and in vivo experimental models.
CAS Number
2436760-79-9
Field of Research
Epigenetics & Chromatin
Smiles
N#CC1=CC=C (C2=CC (OC[C@H]3CNCC3) =CN=C2C4=CC=C (C) C=C4) C=C1.Cl
Molecular Formula
C24H24ClN3O
Molecular Weight
405.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GSK 690 Hydrochloride
CAS Number2436760-79-9
PubChem CID135397147
IUPAC Name4-[2-(4-methylphenyl)-5-[[(3R)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]benzonitrile;hydrochloride
Molecular FormulaC24H24ClN3O
Molecular Weight405.9
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity527
SMILES
CC1=CC=C(C=C1)C2=C(C=C(C=N2)OC[C@@H]3CCNC3)C4=CC=C(C=C4)C#N.Cl
InChI
InChI=1S/C24H23N3O.ClH/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19;/h2-9,12,15,19,26H,10-11,14,16H2,1H3;1H/t19-;/m1./s1
InChIKey
DBTSJYXXWZFXNJ-FSRHSHDFSA-N
Chemical Structure
2D Structure
2D structure of GSK 690 Hydrochloride
CAS: 2436760-79-9
CID: 135397147
Formula: C24H24ClN3O
MW: 405.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass405.1607901
Monoisotopic Mass405.1607901
Topological Polar Surface Area57.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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