Danicopan

CAT: 0931-T8509-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T8509-02Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1903768-17-1

Target

Complement System

Related Pathways

Immunology/Inflammation

Purity

0.9994

Bioactivity

Danicopan (ACH-4471) (ACH-4471) is a selective, orally active small molecule factor D inhibitor with high binding affinity to human factor D, with a Kd value of 0.54 nM. Danicopan (ACH-4471) inhibits the activity of the complement replacement pathway (APC) and may block the complement replacement pathway in paroxysmal nocturnal hemoglobinuria (PNH) and atypical hemolytic uremic syndrome (aHUS) .

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Danicopan

Danicopan is an organic molecular entity.

CAS Number	1903768-17-1
PubChem CID	118323590
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 Formula	C26H23BrFN7O3
Molecular Weight	580.4
XLogP	3.3
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	38
Formal Charge	0
Complexity	891

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

CAS: 1903768-17-1

CID: 118323590

Formula: C26H23BrFN7O3

MW: 580.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	580.4
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	579.10298
Monoisotopic Mass	579.10298
Topological Polar Surface Area	123 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	891
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

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

Danicopan

Chemical Information

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