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Sparsentan

CAT: 0127-BUP15364-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15364-02Size:10 mg
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CAS Number
254740-64-2
Synonyms
RE-021, DARA-a
Purity
=95%
Smiles
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C

Chemical Information

Sparsentan

Sparsentan is a biphenyl that is 1,1'-biphenyl substituted by (4,5-dimethyl-1,2-oxazol-3-yl)aminosulfonyl, ethoxymethyl, and (2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl groups at positions 2, 2' and 4', respectively. It is a dual antagonist of endothelin and angiotensin II receptors approved for the reduction of proteinuria in adults with primary immunoglobulin A nephropathy at risk of rapid disease progression. It has a role as an antihypertensive agent, an endothelin A receptor antagonist, an angiotensin receptor antagonist and a nephroprotective agent. It is a member of biphenyls, a sulfonamide, an azaspiro compound, a member of isoxazoles and a benzyl ether.

CAS Number254740-64-2
PubChem CID10257882
IUPAC Name2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
Molecular FormulaC32H40N4O5S
Molecular Weight592.8
XLogP5
Topological Polar Surface Area122
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count42
Formal Charge0
Complexity1060
SMILES
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=NOC(=C5C)C)COCC
InChI
InChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)
InChIKey
WRFHGDPIDHPWIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sparsentan
CAS: 254740-64-2
CID: 10257882
Formula: C32H40N4O5S
MW: 592.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight592.8
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass592.27194156
Monoisotopic Mass592.27194156
Topological Polar Surface Area122 Ų
Heavy Atom Count42
Formal Charge0
Complexity1060
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