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Pulrodemstat

CAT: 0127-BUP17930-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17930-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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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
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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

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