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ALV2

CAT: 0804-HY-137206-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137206-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ALV2 is a potent and selective Helios molecular glue degrader. ALV2 binds CRBN, with an IC50 of 0.57 μM. Helios is the zinc-finger transcription factor that can maintain a stable Treg cell phenotype in the inflammatory tumor microenvironment[1].
CAS Number
2438124-95-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Ligands for E3 Ligase; Molecular Glues
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/alv2.html
Purity
98.07
Solubility
DMSO : 160 mg/mL (ultrasonic)
Smiles
O=C(NC(C)(C1=CC=CC(NC2=CC(N(C(CC3)C(NC3=O)=O)C2=O)=O)=C1)C)NC4=CC=C(C)C(Cl)=C4
Molecular Formula
C26H26ClN5O5
Molecular Weight
523.97
Precautions
H302, H315, H319, H335
References & Citations
[1]Wang ES, et, al. Acute pharmacological degradation of Helios destabilizes regulatory T cells. Nat Chem Biol. 2021 Jun;17 (6) :711-717.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

3-(3-chloro-4-methylphenyl)-1-[2-(3-{[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}phenyl)propan-2-yl]urea
CAS Number2438124-95-7
PubChem CID146628167
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propan-2-yl]urea
Molecular FormulaC26H26ClN5O5
Molecular Weight524.0
XLogP2.5
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity998
SMILES
CC1=C(C=C(C=C1)NC(=O)NC(C)(C)C2=CC(=CC=C2)NC3=CC(=O)N(C3=O)C4CCC(=O)NC4=O)Cl
InChI
InChI=1S/C26H26ClN5O5/c1-14-7-8-17(12-18(14)27)29-25(37)31-26(2,3)15-5-4-6-16(11-15)28-19-13-22(34)32(24(19)36)20-9-10-21(33)30-23(20)35/h4-8,11-13,20,28H,9-10H2,1-3H3,(H2,29,31,37)(H,30,33,35)
InChIKey
YKFHBIMJVFQOQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-chloro-4-methylphenyl)-1-[2-(3-{[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}phenyl)propan-2-yl]urea
CAS: 2438124-95-7
CID: 146628167
Formula: C26H26ClN5O5
MW: 524.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.0
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass523.1622466
Monoisotopic Mass523.1622466
Topological Polar Surface Area137 Ų
Heavy Atom Count37
Formal Charge0
Complexity998
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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