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OICR-9429

CAT: 0804-HY-16993-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16993-01Size:5 mg
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Description
OICR-9429, a chemical probe, is high affinity WD repeat domain 5 (WDR5) inhibitor, competitively blocks WDR5 interaction with MLL protein via binding the central peptide-binding pocket of WDR5. OICR-9429 can suppress histone H3K4 trimethylation and can be used for the research of various cancers including non-MLL-rearranged leukaemia, colon, pancreatic, prostate cancer and bladder cancer (BCa) [1].
CAS Number
1801787-56-3
UNSPSC
12352005
Hazard Statement
H315
Target
Apoptosis; WDR5
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/OICR-9429.html
Concentration
10mM
Purity
99.71
Solubility
DMSO : ≥ 32 mg/mL
Smiles
O=C(C1=CNC(C=C1C(F)(F)F)=O)NC2=CC(C3=CC(CN4CCOCC4)=CC=C3)=CC=C2N5CCN(C)CC5
Molecular Formula
C29H32F3N5O3
Molecular Weight
555.59
Precautions
H315
References & Citations
[1]Jingtong Zhang, et al. Targeting WD repeat domain 5 enhances chemosensitivity and inhibits proliferation and programmed death-ligand 1 expression in bladder cancer. J Exp Clin Cancer Res. 2021 Jun 21;40 (1) :203.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Oicr-9429

antineoplastic; structure in first source

CAS Number1801787-56-3
PubChem CID91623360
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
Molecular FormulaC29H32F3N5O3
Molecular Weight555.6
XLogP2.2
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity972
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC=CC(=C3)CN4CCOCC4)NC(=O)C5=CNC(=O)C=C5C(F)(F)F
InChI
InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)
InChIKey
DJOVLOYCGXNVPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oicr-9429
CAS: 1801787-56-3
CID: 91623360
Formula: C29H32F3N5O3
MW: 555.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.6
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass555.24572439
Monoisotopic Mass555.24572439
Topological Polar Surface Area77.2 Ų
Heavy Atom Count40
Formal Charge0
Complexity972
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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CatalogName
MBS131508OICR-9429 (OICR9429; OICR 9429)
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B1256-5OICR-9429

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