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UNC6934

CAT: 0804-HY-145103-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145103-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UNC6934, a chemical probe targeting the PWWP domain, alters NSD2 nucleolar localization.
CAS Number
2561494-77-5
UNSPSC
12352005
Target
Histone Methyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/unc6934.html
Purity
99.15
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C(CN(C2CC2)C(C3=CC=C4NC(COC4=C3)=O)=O)C=C1)NC5=CC=NC=N5
Molecular Formula
C24H21N5O4
Molecular Weight
443.45
References & Citations
[1]Dilworth D, et al. A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization. Nat Chem Biol. 2022 Jan;18 (1) :56-63.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-cyclopropyl-3-oxo-N-(4-(pyrimidin-4-ylcarbamoyl)benzyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxamide
CAS Number2561494-77-5
PubChem CID146676966
IUPAC NameN-cyclopropyl-3-oxo-N-[[4-(pyrimidin-4-ylcarbamoyl)phenyl]methyl]-4H-1,4-benzoxazine-7-carboxamide
Molecular FormulaC24H21N5O4
Molecular Weight443.5
XLogP1.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity736
SMILES
C1CC1N(CC2=CC=C(C=C2)C(=O)NC3=NC=NC=C3)C(=O)C4=CC5=C(C=C4)NC(=O)CO5
InChI
InChI=1S/C24H21N5O4/c30-22-13-33-20-11-17(5-8-19(20)27-22)24(32)29(18-6-7-18)12-15-1-3-16(4-2-15)23(31)28-21-9-10-25-14-26-21/h1-5,8-11,14,18H,6-7,12-13H2,(H,27,30)(H,25,26,28,31)
InChIKey
KOZGEDUWAQFVAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-cyclopropyl-3-oxo-N-(4-(pyrimidin-4-ylcarbamoyl)benzyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxamide
CAS: 2561494-77-5
CID: 146676966
Formula: C24H21N5O4
MW: 443.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass443.15935417
Monoisotopic Mass443.15935417
Topological Polar Surface Area114 Ų
Heavy Atom Count33
Formal Charge0
Complexity736
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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