Products for Research Use Only
RegisterLogin

Pulrodemstat

CAT: 0127-BUP17930-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP17930-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1821307-10-1
Synonyms
CC90011 , CC-90011 , LSD1-IN-7
Purity
=98%
Smiles
N#CC1=CC=C(C=C1F)C=2N=C(N(C(=O)C2C=3C=CC(OC)=C(F)C3)C)N4CCC(N)CC4

Chemical Information

Pulrodemstat

Pulrodemstat is a small molecule drug. The usage of the INN stem '-demstat' in the name indicates that Pulrodemstat is a Lysine-specific histone demethylase inhibitor. Pulrodemstat has a monoisotopic molecular weight of 451.18 Da.

CAS Number1821307-10-1
PubChem CID118483201
IUPAC Name4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxopyrimidin-4-yl]-2-fluorobenzonitrile
Molecular FormulaC24H23F2N5O2
Molecular Weight451.5
XLogP2.2
Topological Polar Surface Area95
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity860
SMILES
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/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/h3-6,11-12,17H,7-10,28H2,1-2H3
InChIKey
NBAIXBAUHIQQGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pulrodemstat
CAS: 1821307-10-1
CID: 118483201
Formula: C24H23F2N5O2
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass451.18198132
Monoisotopic Mass451.18198132
Topological Polar Surface Area95 Ų
Heavy Atom Count33
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T39258-01Pulrodemstat
T39258L-01Pulrodemstat HCl
GTR19177139-01Pulrodemstat benzenesulfonate
T11883-01Pulrodemstat Methylbenzenesulfonate
HY-129388Pulrodemstat (Methylbenzenesulfonate)
HY-129388B-01Pulrodemstat (benzenesulfonate)
HY-129388CPulrodemstat (hydrochloride)
A24339-10Pulrodemstat benzenesulfonate 10mg
A24339-5Pulrodemstat benzenesulfonate 5mg
A24339-100Pulrodemstat benzenesulfonate 100mg

Popular Products