Products for Research Use Only
RegisterLogin

Macitentan-d4

CAT: 0804-HY-14184S-03Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-14184S-03Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Macitentan-d4 is a deuterium labeled Sulfamethoxazole. Macitentan is an orally active, non-peptide dual ETA and ETB (endothelin) receptor antagonist. Macitentan has the potential for idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hypertension (PAH) [1].
CAS Number
1258428-05-5
Product Name Alternative
ACT-064992-d4
UNSPSC
12352005
Target
Apoptosis; Endothelin Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Apoptosis; GPCR/G Protein; Others
Applications
Neuroscience-Neurodegeneration
Field of Research
Cardiovascular Disease
Purity
98.03
Solubility
DMSO : ≥ 50mg/mL
Smiles
O=S(NCCC)(NC1=NC=NC(OC([2H])([2H])C([2H])([2H])OC2=NC=C(Br)C=N2)=C1C3=CC=C(Br)C=C3)=O
Molecular Formula
C19H16D4Br2N6O4S
Molecular Weight
592.30
References & Citations
[1]Corallo C, et al. Bosentan and macitentan prevent the endothelial-to-mesenchymal transition (EndoMT) in systemic sclerosis: in vitro study. Arthritis Res Ther. 2016 Oct 6;18 (1) :228.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
ETA; ETB

Chemical Information

Macitentan-d4
CAS Number1258428-05-5
PubChem CID49849030
IUPAC Name5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
Molecular FormulaC19H20Br2N6O4S
Molecular Weight592.3
XLogP3.7
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity642
SMILES
[2H]C([2H])(C([2H])([2H])OC1=NC=C(C=N1)Br)OC2=NC=NC(=C2C3=CC=C(C=C3)Br)NS(=O)(=O)NCCC
InChI
InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)/i8D2,9D2
InChIKey
JGCMEBMXRHSZKX-LZMSFWOYSA-N
Chemical Structure
2D Structure
2D structure of Macitentan-d4
CAS: 1258428-05-5
CID: 49849030
Formula: C19H20Br2N6O4S
MW: 592.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass591.98641
Monoisotopic Mass589.98846
Topological Polar Surface Area137 Ų
Heavy Atom Count32
Formal Charge0
Complexity642
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-14184-01Macitentan
HY-14184R-01Macitentan (Standard)
HY-14184A-01Macitentan (n-butyl analogue)
HY-151912S-01Picolinafen-d4 (4-Fluorophenyl-d4)
HY-132468SKeto Pioglitazone-d4 (M-III-d4)
HY-151892SGlimepiride-d4 (phenylethyl-α, α, β, β-d4) (cis/trans)
HY-151910S(±) -Fluoxetine-d4 Oxalate (trifluoromethylphen-d4-oxy)
HY-W654154Dexmedetomidine-d4 L-tartrate (-d4-major)
HY-113313S2Aldosterone-d4
HY-15731SEstetrol-d4

Alternative Products

CatalogName
CS-O-14938Macitentan-d4
RM-M010327-01Macitentan D4
TMIH-0383-01N-Despropyl Macitentan-d4
458875N-Despropyl-macitentan-d4
TRC-D282027-2.5MGO-Desbromo-pyrimidinyl Macitentan-d4
T2561-01Macitentan

Popular Products