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NSD2-PWWP1-IN-2

CAT: 0931-T204831-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204831-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2797183-32-3
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Bioactivity
NSD2-PWWP1-IN-2 (compound 33) is a potent NSD2-PWWP1 inhibitor, exhibiting an IC50 value of 1.49 μM, indicating its potential utility in cancer research.
Smiles
N#CC=1C=CC(=C2C=CC=CC12)C3=C(N=CN3C)C=4C(=CC(=CC4C)CN5CCCCC5)C
Molecular Formula
C29H30N4
Molecular Weight
434.575
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nsd2-pwwp1-IN-2
CAS Number2797183-32-3
PubChem CID168272933
IUPAC Name4-[5-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenyl]-3-methylimidazol-4-yl]naphthalene-1-carbonitrile
Molecular FormulaC29H30N4
Molecular Weight434.6
XLogP5.7
Topological Polar Surface Area44.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity681
SMILES
CC1=CC(=CC(=C1C2=C(N(C=N2)C)C3=CC=C(C4=CC=CC=C43)C#N)C)CN5CCCCC5
InChI
InChI=1S/C29H30N4/c1-20-15-22(18-33-13-7-4-8-14-33)16-21(2)27(20)28-29(32(3)19-31-28)26-12-11-23(17-30)24-9-5-6-10-25(24)26/h5-6,9-12,15-16,19H,4,7-8,13-14,18H2,1-3H3
InChIKey
LUPVAGKRNVEZAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nsd2-pwwp1-IN-2
CAS: 2797183-32-3
CID: 168272933
Formula: C29H30N4
MW: 434.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.6
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass434.24704697
Monoisotopic Mass434.24704697
Topological Polar Surface Area44.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity681
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

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Alternative Products

CatalogName
GTR19249830-01NSD2-PWWP1-IN-2
HY-171119-01NSD2-PWWP1-IN-1
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