Products for Research Use Only
RegisterLogin

Pulrodemstat Methylbenzenesulfonate

CAT: 0013-GTR19205513-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19205513-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
LSD1-IN-7 Methylbenzenesulfonate is a potent, orally bioavailable inhibitor of lysine-specific demethylase 1 (LSD1) . It demonstrates anticancer activity in both cellular assays and animal models, making it a valuable chemical probe for epigenetic and oncology research.
CAS Number
2097523-57-2
Field of Research
Epigenetics & Chromatin
Smiles
N#CC1=CC=C (C=C1F) C=2N=C (N (C (=O) C2C=3C=CC (OC) =C (F) C3) C) N4CCC (N) CC4.O=S (=O) (O) C1=CC=C (C=C1) C
Molecular Formula
C31H31F2N5O5S
Molecular Weight
623.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Unii-496P6HY485
CAS Number2097523-57-2
PubChem CID139600313
IUPAC Name4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxopyrimidin-4-yl]-2-fluorobenzonitrile;4-methylbenzenesulfonic acid
Molecular FormulaC31H31F2N5O5S
Molecular Weight623.7
Topological Polar Surface Area158
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count44
Formal Charge0
Complexity1070
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1C(=O)C(=C(N=C1N2CCC(CC2)N)C3=CC(=C(C=C3)C#N)F)C4=CC(=C(C=C4)OC)F
InChI
InChI=1S/C24H23F2N5O2.C7H8O3S/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,11-12,17H,7-10,28H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey
OZZFOHIBJFKYLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unii-496P6HY485
CAS: 2097523-57-2
CID: 139600313
Formula: C31H31F2N5O5S
MW: 623.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight623.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass623.20139660
Monoisotopic Mass623.20139660
Topological Polar Surface Area158 Ų
Heavy Atom Count44
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19231756-01Pulrodemstat
GTR19189724-01Pulrodemstat
GTR19177139-01Pulrodemstat benzenesulfonate
GTR19239510-01Pulrodemstat HCl
GTR19245895Ethyl 4-methylbenzenesulfonate
GTR19245422-01Sodium 4-methylbenzenesulfonate
GTR19244839-01Tetramethylammonium 4-methylbenzenesulfonate
GTR19275799-014-Hydroxybutyl 4-methylbenzenesulfonate
GTR19257639-014-Aminobutyl 4-methylbenzenesulfonate
GTR19275571-013-Hydroxypropyl 4-methylbenzenesulfonate

Alternative Products

CatalogName
T11883-01Pulrodemstat Methylbenzenesulfonate
HY-129388Pulrodemstat (Methylbenzenesulfonate)
T39258-01Pulrodemstat
T39258L-01Pulrodemstat HCl
HY-129388B-01Pulrodemstat (benzenesulfonate)
HY-129388CPulrodemstat (hydrochloride)
T11882-01Pulrodemstat benzenesulfonate
A24339-10Pulrodemstat benzenesulfonate 10mg
A24339-5Pulrodemstat benzenesulfonate 5mg
A24339-100Pulrodemstat benzenesulfonate 100mg

Popular Products