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Darusentan

CAT: 0931-T5458-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T5458-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
171714-84-4
Target
Endothelin Receptor
Related Pathways
GPCR/G Protein
Purity
0.9872
Bioactivity
Darusentan (Lu-135252) is a potent inhibitor of endothelin signaling and function in large and small arteries.
Smiles
COc1cc(OC)nc(O[C@H](C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Molecular Formula
C22H22N2O6
Molecular Weight
410.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Darusentan

Darusentan is a selective endothelin ETA receptor antagonist. It is being evaluated as a treatment for congestive heart failure and hypertension.

CAS Number171714-84-4
PubChem CID177236
IUPAC Name(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
Molecular FormulaC22H22N2O6
Molecular Weight410.4
XLogP3.6
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity506
SMILES
COC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
InChIKey
FEJVSJIALLTFRP-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Darusentan
CAS: 171714-84-4
CID: 177236
Formula: C22H22N2O6
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass410.14778643
Monoisotopic Mass410.14778643
Topological Polar Surface Area100 Ų
Heavy Atom Count30
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5315-50Darusentan
A21280-5Darusentan 5mg
A21280-100Darusentan 100mg
A21280-50Darusentan 50mg
A21280-2Darusentan 2mg
A21280-25Darusentan 25mg
A21280-1Darusentan 1mg
A21280-10Darusentan 10mg
A21280-10mM-DDarusentan 10mM * 1mL in DMSO

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