WH-10417-099

CAT: 0804-HY-137340-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-137340-01Size:5 mg

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Description

WH-10417-099 is a CRBN-type PROTAC multi-kinase degrader that can jointly induce the degradation of the largest number of unique kinases (more than 125 unique kinases). WH-10417-099 induces protein degradation through the ubiquitin biotinylation (E-STUB) pathway and consists of the target protein ligand (red part) PI3Kγ ligand 1 , the E3 ubiquitin ligase ligand (blue part) Thalidomide 4-fluoride (HY-41547) and the PROTAC linker (black part) Amino-PEG5-C2-acid (HY-115384). The E3 ligase ligand and linker can form a conjugate Pomalidomide 4'-PEG5-acid (HY-131647).

CAS Number

2769753-42-4

UNSPSC

12352005

Target

PROTACs

Type

Reference compound

Related Pathways

PROTAC

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/wh-10417-099.html

Purity

98.14

Solubility

DMSO : 40 mg/mL (ultrasonic)

Smiles

O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCOCCOCCOCCC(NCCCN(C4CC4)S(C5=CC=C(C6=CN=C(N)C(C7=CC(CCNC8=O)=C8C=C7)=C6)C=C5)(=O)=O)=O)=O

Molecular Formula

C52H62N8O13S

Molecular Weight

1039.16

References & Citations

[1]Donovan KA, et al. Mapping the Degradable Kinome Provides a Resource for Expedited Degrader Development. Cell. 2020;183 (6) :1714-1731.e10.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

Cereblon

Chemical Information

N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]phenyl]sulfonyl-cyclopropylamino]propyl]-3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

CAS Number	2769753-42-4
PubChem CID	163196232
IUPAC Name	N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]phenyl]sulfonyl-cyclopropylamino]propyl]-3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
Molecular Formula	C52H62N8O13S
Molecular Weight	1039.2
XLogP	2.1
Topological Polar Surface Area	285
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	29
Heavy Atom Count	74
Formal Charge	0
Complexity	2000

SMILES

C1CC1N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C3=O)C4CCC(=O)NC4=O)S(=O)(=O)C5=CC=C(C=C5)C6=CC(=C(N=C6)N)C7=CC8=C(C=C7)C(=O)NCC8

InChI

InChI=1S/C52H62N8O13S/c53-48-42(35-7-12-40-36(31-35)15-18-56-49(40)63)32-37(33-57-48)34-5-10-39(11-6-34)74(67,68)59(38-8-9-38)20-2-17-55-45(61)16-21-69-23-25-71-27-29-73-30-28-72-26-24-70-22-19-54-43-4-1-3-41-47(43)52(66)60(51(41)65)44-13-14-46(62)58-50(44)64/h1,3-7,10-12,31-33,38,44,54H,2,8-9,13-30H2,(H2,53,57)(H,55,61)(H,56,63)(H,58,62,64)

InChIKey

FBFSEQRYZRBYLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2769753-42-4

CID: 163196232

Formula: C52H62N8O13S

MW: 1039.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1039.2
XLogP3	2.1
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	29
Exact Mass	1038.41570524
Monoisotopic Mass	1038.41570524
Topological Polar Surface Area	285 Å²
Heavy Atom Count	74
Formal Charge	0
Complexity	2000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

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HY-101147-01	YKL-05-099
HY-138001-01	WH-4-025
HY-101147R	YKL-05-099 (Standard)
HY-12299-01	WH-4-023
HY-163763-01	T-10418

Alternative Products

Catalog	Name
T78050-01	WH-10417-099
B4877-5.1	URMC-099
456352-01	ML-099
MBS5824862	AC-099

WH-10417-099

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