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Voxelotor

CAT: 0804-HY-18681-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18681-01Size:5 mg
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Description
Voxelotor (GBT 440) is a potent inhibitor of haemoglobin S (HbS) polymerization. Voxelotor has the potential for sickle cell disease (SCD) treatment[1].
CAS Number
1446321-46-5
Product Name Alternative
GBT 440
UNSPSC
12352005
Hazard Statement
H302, H312, H315, H319, H332, H335
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/GBT-440.html
Purity
99.99
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=CC=CC(OCC2=C(C3=CC=NN3C(C)C)N=CC=C2)=C1C=O
Molecular Formula
C19H19N3O3
Molecular Weight
337.37
Precautions
H302, H312, H315, H319, H332, H335
References & Citations
[1]Oksenberg D, et al. GBT440 increases haemoglobin oxygen affinity, reduces sickling and prolongs RBC half-life in a murine model of sickle cell disease. Br J Haematol. 2016 Oct;175 (1) :141-53.|[2]Metcalf B, Chuang C, Dufu K, et al. Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett. 2017;8 (3) :321-326.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Voxelotor

Voxelotor is a novel hemoglobin S polymerization inhibitor for the treatment of sickle cell disease. This is a genetically inherited condition most prevalent in the Middle East, Africa, and certain parts of India. Sickle cell disease can lead to excruciating pain, stroke, infection, and various other complications arising from the blockage of blood vessels. Voxelotor was granted accelerated FDA approval on November 25 2019, as it is likely to be a promising treatment for the 100,000 individuals in the U.S. suffering from the disease, in addition to 20 million others worldwide. It was developed by Global Blood Therapeutics, Inc. and is unique from other drugs used to treat sickle cell anemia, such as [hydroxyurea], [L-glutamine], and [crizanlizumab] due to its novel mechanism of action. The EMA approved the use of voxelotor for the treatment of hemolytic anemia associated with sickle cell disease in February 2022.

CAS Number1446321-46-5
PubChem CID71602803
IUPAC Name2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
Molecular FormulaC19H19N3O3
Molecular Weight337.4
XLogP2.7
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity434
SMILES
CC(C)N1C(=CC=N1)C2=C(C=CC=N2)COC3=CC=CC(=C3C=O)O
InChI
InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3
InChIKey
FWCVZAQENIZVMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Voxelotor
CAS: 1446321-46-5
CID: 71602803
Formula: C19H19N3O3
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass337.14264148
Monoisotopic Mass337.14264148
Topological Polar Surface Area77.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity434
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

Alternative Products

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T7581-01Voxelotor
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A20863-50Voxelotor 50mg
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