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Danicopan

CAT: 1568-C07331-02Size: 10 mM / 1 mLDry Ice: NoHazardous: No
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CAT#:1568-C07331-02Size:10 mM / 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1903768-17-1
Synonyms
ACH-4471, ACH-0144471, ACH-CFDIS, ALXN 2040
SKU
C07331-5mg
Target
Complement System
Applications
Immunology & Inflammation
Smiles
CC1=NC=C (C=N1) C2=CC3=C (C=C2) N (N=C3C (=O) C) CC (=O) N4CC (CC4C (=O) NC5=NC (=CC=C5) Br) F
Molecular Formula
C26H23BrFN7O3
Additionnal Information
Danicopan is a potent, selective and orally active inhibitor of factor D with Kd of 0.54 nM for human Factor D. Danicopan inhibits alternative pathway of complement (APC) activity, and has potential to block the alternative pathway of complement in paroxysmal nocturnal hemoglobinuria (PNH) and atypical hemolytic uremic syndrome (aHUS) .
Storage Conditions
3 years -20°C powder

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
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A18609-100Danicopan 100mg
A18609-50Danicopan 50mg
A18609-10Danicopan 10mg
A18609-2Danicopan 2mg
207093Danicopan free base

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