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Refinicopan

CAT: 0013-GTR19264262-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264262-01Size:50 mg
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Description
Refinicopan is a complement factor D inhibitor with an IC50 of 10 nM, demonstrating an inhibition activity on rabbit erythrocyte hemolysis with an IC50 of 41 nM. It possesses excellent pharmacokinetic and pharmacodynamic properties.
CAS Number
2922808-66-8
Field of Research
Immunology & Inflammation
Smiles
O=C (O) CC=1C=CC=CC1OCC2=CC (=CC (=C2) N3CCC4 (CC3) CC4) C=5C=CC=C (C5) CN
Molecular Formula
C29H32N2O3
Molecular Weight
456.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Refinicopan
CAS Number2922808-66-8
PubChem CID172209447
IUPAC Name2-[2-[[3-[3-(aminomethyl)phenyl]-5-(6-azaspiro[2.5]octan-6-yl)phenyl]methoxy]phenyl]acetic acid
Molecular FormulaC29H32N2O3
Molecular Weight456.6
XLogP1.8
Topological Polar Surface Area75.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity670
SMILES
C1CC12CCN(CC2)C3=CC(=CC(=C3)C4=CC=CC(=C4)CN)COC5=CC=CC=C5CC(=O)O
InChI
InChI=1S/C29H32N2O3/c30-19-21-4-3-6-23(14-21)25-15-22(20-34-27-7-2-1-5-24(27)18-28(32)33)16-26(17-25)31-12-10-29(8-9-29)11-13-31/h1-7,14-17H,8-13,18-20,30H2,(H,32,33)
InChIKey
FIRMYSDKCGABGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Refinicopan
CAS: 2922808-66-8
CID: 172209447
Formula: C29H32N2O3
MW: 456.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.6
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass456.24129289
Monoisotopic Mass456.24129289
Topological Polar Surface Area75.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity670
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

Alternative Products

CatalogName
HY-177123Refinicopan

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