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Factor B-IN-4

CAT: 0013-GTR19185903-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185903-02Size:50 mg
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Description
Factor B-IN-4 is a potent small molecule inhibitor of complement factor B with an IC50 of 1 μM. It is a valuable research tool for investigating the alternative complement pathway in vitro and has been used in studies of inflammatory and immune-related disease models.
CAS Number
2760669-84-7
Field of Research
Immunology & Inflammation
Smiles
C (C1=C2C (=C (C=C1OC) C3CC3) NC=C2) N4[C@@H] (C[C@@H] (OCC) CC4) C5=CC=C (C (O) =O) C=C5
Molecular Formula
C27H32N2O4
Molecular Weight
448.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Factor B-IN-4
CAS Number2760669-84-7
PubChem CID164175844
IUPAC Name4-[(2S,4S)-1-[(7-cyclopropyl-5-methoxy-1H-indol-4-yl)methyl]-4-ethoxypiperidin-2-yl]benzoic acid
Molecular FormulaC27H32N2O4
Molecular Weight448.6
XLogP2.3
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity663
SMILES
CCO[C@H]1CCN([C@@H](C1)C2=CC=C(C=C2)C(=O)O)CC3=C(C=C(C4=C3C=CN4)C5CC5)OC
InChI
InChI=1S/C27H32N2O4/c1-3-33-20-11-13-29(24(14-20)18-6-8-19(9-7-18)27(30)31)16-23-21-10-12-28-26(21)22(17-4-5-17)15-25(23)32-2/h6-10,12,15,17,20,24,28H,3-5,11,13-14,16H2,1-2H3,(H,30,31)/t20-,24-/m0/s1
InChIKey
ZZLHVLINQSBHSO-RDPSFJRHSA-N
Chemical Structure
2D Structure
2D structure of Factor B-IN-4
CAS: 2760669-84-7
CID: 164175844
Formula: C27H32N2O4
MW: 448.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.6
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass448.23620751
Monoisotopic Mass448.23620751
Topological Polar Surface Area74.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity663
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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Alternative Products

CatalogName
T62688-01Factor B-IN-4
479841EBF4 (Early B-Cell Factor 4)
144743IL-4 (B Cell IgG differentiation factor, B Cell growth factor 1, B Cell stimulatory factor 1)
361659IL-4 (Il4, Il-4, Interleukin-4, B-cell IgG Differentiation Factor, B-cell Growth Factor 1, B-cell Stimulatory Factor 1, BSF-1)
479845EBF4 (Transcription Factor COE4, Early B-Cell Factor 4)
479842EBF4 (Early B-Cell Factor 4, Transcription Factor COE4)
143626-01Interleukin 4 (Interleukin-4, IL-4, B Cell IgG Differentiation Factor, B Cell Growth Factor 1, B Cell Stimulatory Factor 1, BSF-1, IGG1 Induction Factor, Lymphocyte Stimulatory Factor, Il-4) discontinued
MBS6403764-01Interleukin 4 (Interleukin-4, IL-4, B Cell IgG Differentiation Factor, B Cell Growth Factor 1, B Cell Stimulatory Factor 1, BSF-1, IGG1 Induction Factor, Lymphocyte Stimulatory Factor, Il-4) (AP)
MBS6403765-01Interleukin 4 (Interleukin-4, IL-4, B Cell IgG Differentiation Factor, B Cell Growth Factor 1, B Cell Stimulatory Factor 1, BSF-1, IGG1 Induction Factor, Lymphocyte Stimulatory Factor, Il-4) (APC)
MBS6403768-01Interleukin 4 (Interleukin-4, IL-4, B Cell IgG Differentiation Factor, B Cell Growth Factor 1, B Cell Stimulatory Factor 1, BSF-1, IGG1 Induction Factor, Lymphocyte Stimulatory Factor, Il-4) (HRP)

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