Darusentan

CAT: 0013-GTR19169715-07Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19169715-07Size:100 mg

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Description

Darusentan (LU-135252) is a potent and selective endothelin receptor antagonist. It is used in research to study endothelin-mediated vasoconstriction in cardiovascular diseases, with applications in both in vitro assays and in vivo hypertension models.

CAS Number

171714-84-4

Product Name Alternative

Darusentan, aortic, inhibit, muscle, Lu135252, Lu-135252, Lu 135252, Inhibitor, Endothelin Receptor, endothelin, Endothelin A receptor, EndothelinReceptor, ET-A, rat, receptor, RAVSMs, smooth, vascular

Field of Research

Pharmacology & Drug Discovery

Purity

97.26% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (9.75 mM) ; H2O:Insoluble; DMSO:125 mg/mL (304.56 mM)

Smiles

COc1cc (OC) nc (O[C@H] (C (O) =O) C (OC) (c2ccccc2) c2ccccc2) n1

Molecular Formula

C22H22N2O6

Molecular Weight

410.43

Storage Conditions

-20°C

Notes

For research use only.

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 Number	171714-84-4
PubChem CID	177236
IUPAC Name	(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
Molecular Formula	C22H22N2O6
Molecular Weight	410.4
XLogP	3.6
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	30
Formal Charge	0
Complexity	506

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

CAS: 171714-84-4

CID: 177236

Formula: C22H22N2O6

MW: 410.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	410.4
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	410.14778643
Monoisotopic Mass	410.14778643
Topological Polar Surface Area	100 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	506
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA5315-50	Darusentan
A21280-5	Darusentan 5mg
A21280-100	Darusentan 100mg
A21280-50	Darusentan 50mg
A21280-2	Darusentan 2mg
A21280-25	Darusentan 25mg
A21280-1	Darusentan 1mg
A21280-10	Darusentan 10mg
A21280-10mM-D	Darusentan 10mM * 1mL in DMSO

Darusentan

Chemical Information

Alternative Products

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