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Danicopan (ACH-4471) - 99%, high purity , Complement factor D inhibitor, CAS No.1903768-17-1, Complement factor D inhibitor

Item Number
D412556
Grouped product items
SKUSizeAvailabilityPrice Qty
D412556-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$271.90
D412556-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$728.90

Complement System Inhibitors

Basic Description

SynonymsBDBM354268 | JM8C1SFX0U | CS-0068562 | DANICOPAN [JAN] | 1903768-17-1 | MLS006011963 | Danicopan free base | MS-30411 | (2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide | ACH44
Specifications & PurityMoligand™, ≥99%
Biochemical and Physiological MechanismsDanicopan (ACH-4471, ACH-0144471, ACH-CFDIS, ALXN 2040) 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 t
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionComplement factor D inhibitor
Product Description

Information

Danicopan (ACH-4471) Danicopan (ACH-4471, ACH-0144471, ACH-CFDIS, ALXN 2040) 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).


Targets

alternative pathway of complement (APC) ; human Factor D (Cell-free assay) ; 0.54 nM(Kd)

Product Properties

ALogP3.3

Associated Targets(Human)

CFD Tchem Complement factor D (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences
Complement factor D inhibitorINHIBITORALA2176771Complement factor DSINGLE PROTEINHomo sapiens

PubMed: [1] , [2]


Complement factor D inhibitorINHIBITORALA2176771Complement factor DSINGLE PROTEINHomo sapiens

Other: [1]


PubMed: [1]


Names and Identifiers

IUPAC Name (2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
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
InChi Key PIBARDGJJAGJAJ-NQIIRXRSSA-N
Canonical 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
Isomeric 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
PubChem CID 118323590
Molecular Weight 580.41

Certificates

C of A & Other Certificates(BSE/TSE, COO)

Chemical and Physical Properties

SolubilitySolubility (25°C) In vitro DMSO: 100 mg/mL (172.29 mM); Water: Insoluble; Ethanol: Insoluble;

Related Documents

References

1. Yuan X, Gavriilaki E, Thanassi JA, Yang G, Baines AC, Podos SD, Huang Y, Huang M, Brodsky RA.  (2017)  Small-molecule factor D inhibitors selectively block the alternative pathway of complement in paroxysmal nocturnal hemoglobinuria and atypical hemolytic uremic syndrome..  Haematologica,  102  (3): (466-475).  [PMID:27810992] [10.1021/op500134e]
2. Iyer A, Xu W, Reid RC, Fairlie DP.  (2018)  Chemical Approaches to Modulating Complement-Mediated Diseases..  J Med Chem,  61  (8): (3253-3276).  [PMID:28977749] [10.1021/op500134e]
3. Risitano AM, Kulasekararaj AG, Lee JW, Maciejewski JP, Notaro R, Brodsky R, Huang M, Geffner M, Browett P.  (2021)  Danicopan: an oral complement factor D inhibitor for paroxysmal nocturnal hemoglobinuria.  Haematologica,  106  (12): (3188-3197).  [PMID:33121236] [10.1021/op500134e]
4. Wiles JA, Galvan MD, Podos SD, Geffner M, Huang M.  (2020)  Discovery and Development of the Oral Complement Factor D Inhibitor Danicopan (ACH-4471)..  Curr Med Chem,  27  (25): (4165-4180).  [PMID:31573880] [10.1021/op500134e]

Solution Calculators