Products for Research Use Only

Factor B-IN-8

CAT: 0013-GTR19274922-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19274922-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Factor B-IN-8 (Compound (3R,4R) -15) is a potent, selective, and orally active inhibitor of Factor B, demonstrating an IC50 value of 10.2 nM. It effectively blocks the interaction between Factor B and C3b, thus preventing the formation of the C3 convertase (C3bBb) . Additionally, Factor B-IN-8 hinders the deposition of the membrane attack complex (MAC) along the alternative pathway with an IC50 of 59.3 nM. This compound reduces the cleavage of Factor B protein and lessens the deposition of complement C3d in the glomeruli and renal tubules. Factor B-IN-8 is applicable in the research of arthritis and paroxysmal nocturnal hemoglobinuria (PNH) .
CAS Number
3049710-19-9
Smiles
O (C1=C2C (=C (C) C=C1OC) NC=C2) [C@H]3[C@@H] (CN (CC (F) (F) F) CC3) C4=CC=C (C (O) =O) C=C4
Molecular Formula
C24H25F3N2O4
Molecular Weight
462.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Factor B Inhibitor (3R,4R)-15
CAS Number3049710-19-9
PubChem CID171842441
IUPAC Name4-[(3R,4R)-4-[(5-methoxy-7-methyl-1H-indol-4-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzoic acid
Molecular FormulaC24H25F3N2O4
Molecular Weight462.5
XLogP2.7
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity671
SMILES
CC1=CC(=C(C2=C1NC=C2)O[C@@H]3CCN(C[C@H]3C4=CC=C(C=C4)C(=O)O)CC(F)(F)F)OC
InChI
InChI=1S/C24H25F3N2O4/c1-14-11-20(32-2)22(17-7-9-28-21(14)17)33-19-8-10-29(13-24(25,26)27)12-18(19)15-3-5-16(6-4-15)23(30)31/h3-7,9,11,18-19,28H,8,10,12-13H2,1-2H3,(H,30,31)/t18-,19+/m0/s1
InChIKey
PLAYMXKTNUBWPC-RBUKOAKNSA-N
Chemical Structure
2D Structure
2D structure of Factor B Inhibitor (3R,4R)-15
CAS: 3049710-19-9
CID: 171842441
Formula: C24H25F3N2O4
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass462.17664177
Monoisotopic Mass462.17664177
Topological Polar Surface Area74.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity671
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