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Lorundrostat

CAT: 0804-HY-147277-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147277-02Size:10 mg
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Description
Lorundrostat (MT-4129) is an orally active aldosterone synthase inhibitor. Lorundrostat can be used in studies of high blood pressure[1][2].
CAS Number
1820940-17-7
Product Name Alternative
MT-4129
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Cytochrome P450
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/lorundrostat.html
Purity
99.37
Solubility
DMSO : 33.33 mg/mL (ultrasonic; adjust pH to 2 with HCl)
Smiles
CC(N[C@@H](CC1)CC[C@H]1NC(CN2CCN(CC2)C3=NN=CC(C4=CC=C(C=C4)C)=N3)=O)=O
Molecular Formula
C24H33N7O2
Molecular Weight
451.56
Precautions
H302, H315, H319
References & Citations
[1]International Nonproprietary Names for Pharmaceutical Substances (INN) . WHO Drug Information, Vol. 36, No. 2, 2022.|[2]Laffin LJ, et al. Aldosterone Synthase Inhibition With Lorundrostat for Uncontrolled Hypertension: The Target-HTN Randomized Clinical Trial. JAMA. 2023 Sep 26;330 (12) :1140-1150|[3]Hideki K, et al., Novel disubstituted 1,2,4-triazine compounds. WO2015163427.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Lorundrostat

Lorundrostat is under investigation in clinical trial NCT06153693 (Efficacy and Safety of Lorundrostat in Subjects With Uncontrolled and Resistant Hypertension).

CAS Number1820940-17-7
PubChem CID126567187
IUPAC NameN-(4-acetamidocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
Molecular FormulaC24H33N7O2
Molecular Weight451.6
XLogP1.5
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity639
SMILES
CC1=CC=C(C=C1)C2=CN=NC(=N2)N3CCN(CC3)CC(=O)NC4CCC(CC4)NC(=O)C
InChI
InChI=1S/C24H33N7O2/c1-17-3-5-19(6-4-17)22-15-25-29-24(28-22)31-13-11-30(12-14-31)16-23(33)27-21-9-7-20(8-10-21)26-18(2)32/h3-6,15,20-21H,7-14,16H2,1-2H3,(H,26,32)(H,27,33)
InChIKey
YHGVDZULVMINCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lorundrostat
CAS: 1820940-17-7
CID: 126567187
Formula: C24H33N7O2
MW: 451.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.6
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass451.26957332
Monoisotopic Mass451.26957332
Topological Polar Surface Area103 Ų
Heavy Atom Count33
Formal Charge0
Complexity639
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

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CatalogName
BA7984-10Lorundrostat

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