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Factor B-IN-2

CAT: 0013-GTR19186316-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186316-02Size:50 mg
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Description
Factor B-IN-2 is a potent small molecule inhibitor of complement factor B, exhibiting an IC50 of 1.5 μM. This tool compound is useful for investigating the alternative complement pathway in research areas such as autoimmune disorders, and it can be applied in both cellular assays and animal models of inflammatory disease.
CAS Number
2760669-72-3
Field of Research
Immunology & Inflammation
Smiles
C (C1=C2C (=C (C) C=C1OC) NCC2) N3[C@@H] (C[C@@H] (OCC) CC3) C4=CC=C (C (O) =O) C=C4
Molecular Formula
C25H32N2O4
Molecular Weight
424.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Factor B-IN-2
CAS Number2760669-72-3
PubChem CID164517043
IUPAC Name4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-2,3-dihydro-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
Molecular FormulaC25H32N2O4
Molecular Weight424.5
XLogP1.7
Topological Polar Surface Area71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity594
SMILES
CCO[C@H]1CCN([C@@H](C1)C2=CC=C(C=C2)C(=O)O)CC3=C(C=C(C4=C3CCN4)C)OC
InChI
InChI=1S/C25H32N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-8,13,19,22,26H,4,9-12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1
InChIKey
DWGHKBIUOLDQND-UGKGYDQZSA-N
Chemical Structure
2D Structure
2D structure of Factor B-IN-2
CAS: 2760669-72-3
CID: 164517043
Formula: C25H32N2O4
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass424.23620751
Monoisotopic Mass424.23620751
Topological Polar Surface Area71 Ų
Heavy Atom Count31
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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