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HbF inducer 2

CAT: 0804-HY-159099-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-159099-05Size:100 mg
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Description
HbF inducer 3 (Compound dWIZ-2) is an orally active molecular glue, which degrades the WIZ transcription factor (DC50=13 nM in primary human erythroid precursor cell) and induces the expression of fetal hemoglobin (HbF) (EC50=100 nM) . HbF inducer 3 exhibits good pharmacokinetic characteristics in cynomolgus monkeys[1].
CAS Number
2654011-51-3
UNSPSC
12352005
Target
Histone Acetyltransferase; Molecular Glues
Type
Reference compound
Related Pathways
Epigenetics; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hbf-inducer-2.html
Concentration
10mM
Purity
99.38
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C(N(CC1=C2C=CC(OC[C@@H]3N(CC)CCCC3)=C1)C2=O)CC4)NC4=O
Molecular Formula
C21H27N3O4
Molecular Weight
385.46
References & Citations
[1]Ting PY, et al., A molecular glue degrader of the WIZ transcription factor for fetal hemoglobin induction. Science. 2024 Jul 5;385 (6704) :91-99.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

HbF inducer 2

DWIZ-2 is a member of the class of isoindoles that is 2,3-dihydro-1H-isoindol-1-one substituted by 2,6-dioxopiperidin-3-yl and [(2R)-1-ethylpiperidin-2-yl]methoxy groups at positions 2 and 5, respectively. It is a molecular glue degrader of the WIZ transcription factor that induces fetal hemoglobin in eythroblasts, and a potential therapeutic agent for the treatment of Sickle cell disease. It is a member of isoindoles, a member of piperidines, an aromatic ether, a member of piperidones and a tertiary amino compound.

CAS Number2654011-51-3
PubChem CID156500472
IUPAC Name3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC21H27N3O4
Molecular Weight385.5
XLogP1.5
Topological Polar Surface Area79
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity625
SMILES
CCN1CCCC[C@@H]1COC2=CC3=C(C=C2)C(=O)N(C3)C4CCC(=O)NC4=O
InChI
InChI=1S/C21H27N3O4/c1-2-23-10-4-3-5-15(23)13-28-16-6-7-17-14(11-16)12-24(21(17)27)18-8-9-19(25)22-20(18)26/h6-7,11,15,18H,2-5,8-10,12-13H2,1H3,(H,22,25,26)/t15-,18?/m1/s1
InChIKey
DHFJHVJOMHNTSK-NNJIEVJOSA-N
Chemical Structure
2D Structure
2D structure of HbF inducer 2
CAS: 2654011-51-3
CID: 156500472
Formula: C21H27N3O4
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass385.20015635
Monoisotopic Mass385.20015635
Topological Polar Surface Area79 Ų
Heavy Atom Count28
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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