Products for Research Use Only
RegisterLogin

Danicopan

CAT: 0013-GTR19165780-07Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19165780-07Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Danicopan (ACH-4471) is a potent and selective oral inhibitor of factor D, binding with high affinity (Kd=0.54 nM) to block the alternative complement pathway. Its application in research includes investigating complement-mediated diseases such as PNH and aHUS, with studies conducted in both in vitro and in vivo experimental models.
CAS Number
1903768-17-1
Product Name Alternative
Inhibit, Inhibitor, factor D, Danicopan, ComplementSystem, Complement System, ACH4471, ACH-4471, ACH 4471
Field of Research
Immunology & Inflammation
Purity
99.88% (May vary between batches)
Solubility
DMSO:260 mg/mL (447.96 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (8.61 mM)
Smiles
CC (=O) c1nn (CC (=O) N2C[C@H] (F) C[C@H]2C (=O) Nc2cccc (Br) n2) c2ccc (cc12) -c1cnc (C) nc1
Molecular Formula
C26H23BrFN7O3
Molecular Weight
580.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Danicopan

Danicopan is an organic molecular entity.

CAS Number1903768-17-1
PubChem CID118323590
IUPAC Name(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
Molecular FormulaC26H23BrFN7O3
Molecular Weight580.4
XLogP3.3
Topological Polar Surface Area123
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity891
SMILES
CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F
InChI
InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1
InChIKey
PIBARDGJJAGJAJ-NQIIRXRSSA-N
Chemical Structure
2D Structure
2D structure of Danicopan
CAS: 1903768-17-1
CID: 118323590
Formula: C26H23BrFN7O3
MW: 580.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass579.10298
Monoisotopic Mass579.10298
Topological Polar Surface Area123 Ų
Heavy Atom Count38
Formal Charge0
Complexity891
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

Alternative Products

CatalogName
BA5882-5.1Danicopan
A18609-1Danicopan 1mg
A18609-25Danicopan 25mg
A18609-5Danicopan 5mg
CS-O-62673Danicopan-d3
A18609-100Danicopan 100mg

Popular Products