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Voxelotor (GBT440) - 98%, high purity , Hemoglobin HbA positive modulator, CAS No.1446321-46-5, Hemoglobin HbA positive modulator

COA COA
In stock
Item Number
V414047
Grouped product items
SKU Size
Availability
 Price Qty
V414047-2mg
2mg
6
$17.90
V414047-5mg
5mg
5
$35.90
V414047-25mg
25mg
4
$147.90
V414047-50mg
50mg
3
$246.90
V414047-100mg
100mg
3
$444.90
V414047-250mg
250mg
2
$1,001.90
V414047-500mg
500mg
2
$1,533.90
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View related series
CYP2C8 Inhibitor (2) CYP2C9 Inhibitor (4) CYP3A4 Inhibitor (10)

Basic Description

Synonyms 2-hydroxy-6-((2-(1-isopropyl-1H-pyrazol-5-yl)-3-pyridinyl)methoxy)benzaldehyde | 3ZO554A4Q8 | Voxelotor [USAN] | AKOS030526545 | VOXELOTOR [WHO-DD] | GTX011 | GTX-011 | NCGC00095683-02 | 2-HYDROXY-6-((2-(1-ISOPROPYL-1H-PYRAZOL-5-YL)PYRIDIN-3-YL)METHOXY) B
Specifications & Purity Moligand™, ≥98%
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR, POSITIVE MODULATOR
Mechanism of action Hemoglobin HbA positive modulator
Product Description

Information

Voxelotor (GBT440, GTx011) is a novel small moleculehemoglobin modifierwhich increases hemoglobin oxygen affinity.


In vitro

GBT440 is a new potent allosteric effector of sickle cell hemoglobin that increases the affinity of hemoglobin for oxygen and consequently inhibits its polymerization when subjected to hypoxic conditions. GBT440 inhibits these isozymes(CYP 1A2, 2C8, 2C9, 2C19, 2D6, and 3A4) with IC50 ranging from 7.9 to 148 μM. It is not a substrate for either P-gp or BCRP transporters It binds to the N-terminal a chain of Hb


In vivo

GBT440 has favorable oral bioavailability of 60, 37, and 36% in rats, dogs, and monkeys, respectively, with similar blood and plasma half-lives of approximately 20 h each. T1/2 value of GBT440 in all animal species is significantly shorter than the T1/2 of red blood cells (∼20 days), which supports that binding of GBT440 to hemoglobin is a reversible process. GBT440 is currently in Phase 3 clinical trials (NCT03036813) in SCD patients GBT440 increases haemoglobin oxygen affinity, reduces sickling and prolongs RBC half-life in a murine model of sickle cell disease. In a murine model of SCD, GBT440 extends the half-life of RBCs, reduces reticulocyte counts and prevents ex vivo RBC sickling. Importantly, oral dosing of GBT440 in animals demonstrates suitability for once daily dosing in humans and a highly selective partitioning into RBCs, which is a key therapeutic safety attribute. GBT440 shows dose proportional PK, a terminal half-life of 1.5-3 d.


Cell Research(from reference)

Concentrations：0, 300, 600, 1000 μM 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic oxygen compounds
Class Organooxygen compounds
Subclass Carbonyl compounds
Intermediate Tree Nodes Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct Parent Hydroxybenzaldehydes
Alternative Parents Phenoxy compounds  Phenol ethers  Benzoyl derivatives  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Pyridines and derivatives  Vinylogous acids  Pyrazoles  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Hydroxybenzaldehyde - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Vinylogous acid - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
External Descriptors Not available

Product Properties

ALogP 2.7

Associated Targets(Human)

CYP2C8 Tchem Cytochrome P450 2C8 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP3A4 Tclin Cytochrome P450 3A4 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP2C9 Tchem Cytochrome P450 2C9 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HBA1 Tclin Hemoglobin HbA (880 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rhesus monkey (3147 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Blood (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504772179
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772179
IUPAC Name 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)pyridin-3-yl]methoxy]benzaldehyde
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
Smiles CC(C)N1C(=CC=N1)C2=C(C=CC=N2)COC3=CC=CC(=C3C=O)O
Isomeric SMILES CC(C)N1C(=CC=N1)C2=C(C=CC=N2)COC3=CC=CC(=C3C=O)O
PubChem CID 71602803
Molecular Weight 337.37

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot Number Certificate Type Date Item
F23061992 Certificate of Analysis Apr 21, 2023 V414047
F23061983 Certificate of Analysis Apr 21, 2023 V414047
F23062011 Certificate of Analysis Apr 21, 2023 V414047
F23062037 Certificate of Analysis Apr 21, 2023 V414047
F23062023 Certificate of Analysis Apr 21, 2023 V414047
F23061989 Certificate of Analysis Apr 21, 2023 V414047
F2306967 Certificate of Analysis Apr 21, 2023 V414047
F23061604 Certificate of Analysis Apr 21, 2023 V414047
F23061612 Certificate of Analysis Apr 21, 2023 V414047
F2306966 Certificate of Analysis Apr 21, 2023 V414047
F23062022 Certificate of Analysis Apr 21, 2023 V414047
F23061544 Certificate of Analysis Apr 21, 2023 V414047
F23061554 Certificate of Analysis Apr 21, 2023 V414047
F23061569 Certificate of Analysis Apr 21, 2023 V414047

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Chemical and Physical Properties

Solubility DMSO : ≥ 125 mg/mL (370.51 mM)
Molecular Weight 337.400 g/mol
XLogP3 2.700
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 337.143 Da
Monoisotopic Mass 337.143 Da
Topological Polar Surface Area 77.200 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 434.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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