WDR5-IN-1

CAT: 0804-HY-133121-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-133121-01Size:5 mg

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Description

WDR5-IN-1 is a potent and selective WD repeat domain 5 (WDR5) inhibitor, with a Kd of 50 of 2.2 nM. WDR5-IN-1 diminishes MYC recruitment at WDR5-displaced genes and exhibits potent anti-proliferative effects in CHP-134 (neuroblastoma) and Ramos (Burkitt’s lymphoma) lines[1].

CAS Number

2408842-51-1

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

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/wdr5-in-1.html

Purity

98.0

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

COC1=CC(OC)=CC(CN2C(C(C=C(CN3C(N(C)C=C3)=N)C=C4C5=C(C)C=C(F)C=C5)=C4CC2)=O)=C1

Molecular Formula

C30H31FN4O3

Molecular Weight

514.59

Precautions

H302, H315, H319, H335

References & Citations

[1]Tian J, et al.Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.J Med Chem. 2020 Jan 23;63 (2) :656-675.

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

Wdr5-IN-1

CAS Number	2408842-51-1
PubChem CID	146014479
IUPAC Name	2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-7-[(2-imino-3-methylimidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1-one
Molecular Formula	C30H31FN4O3
Molecular Weight	514.6
XLogP	4.1
Topological Polar Surface Area	69.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	38
Formal Charge	0
Complexity	874

SMILES

CC1=C(C=CC(=C1)F)C2=C3CCN(C(=O)C3=CC(=C2)CN4C=CN(C4=N)C)CC5=CC(=CC(=C5)OC)OC

InChI

InChI=1S/C30H31FN4O3/c1-19-11-22(31)5-6-25(19)27-14-21(18-35-10-9-33(2)30(35)32)15-28-26(27)7-8-34(29(28)36)17-20-12-23(37-3)16-24(13-20)38-4/h5-6,9-16,32H,7-8,17-18H2,1-4H3

InChIKey

PKONCIPMLLIAIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2408842-51-1

CID: 146014479

Formula: C30H31FN4O3

MW: 514.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	514.6
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	514.23801903
Monoisotopic Mass	514.23801903
Topological Polar Surface Area	69.1 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	874
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-163774	WDR5-MYC-IN-1
HY-157659-01	WDR5-MLL1 antagonist 1
HY-154949-01	WDR5-IN-6
HY-161123	WDR5-IN-8
HY-150654-01	WDR5-IN-5
HY-19347-01	WDR5-0103
HY-157332	WDR5-IN-7
HY-148817-01	WDR5-0102
HY-P703615-01	WDR5, Human
HY-111753-01	WDR5-IN-4

Alternative Products

Catalog	Name
BA2863-1	WDR5-IN-1
T89062-01	WDR5-MYC-IN-1
T208803-01	WDR5 degrader-1
bs-60233C-01	WDR5-0103 --- WDR5 Inhibitor
030720	WDR5
PVT39702	pExpress-1-Wdr5 Plasmid
P30588	PExpress-1-Wdr5 (rat)
BA4986-10	WDR5-IN-6
BA4987-25	WDR5-0102

WDR5-IN-1

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