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Iptacopan

CAT: 1596-AR-I03094-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I03094-06Size:250 Units
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CAS Number
1644670-37-0
Synonyms
4- ((2S,4S) -4-Ethoxy-1- ((5-methoxy-7-methyl-1H-indol-4-yl) methyl) piperidin-2-yl) benzoic acid
Molecular Formula
C25H30N2O4
Molecular Weight
422.5
API Name
Iptacopan

Chemical Information

Iptacopan

Iptacopan is a member of the class of indoles that is 1H-indole substituted by [(2S,4S)-2-(4-carboxyphenyl)-4-ethoxypiperidin-1-yl]methyl, methoxy, and methyl groups at positions 4, 5, and 6, respectively. It is a potent inhibitor of complement factor B (IC50 = 10nM) with potential immunomodulatory activity. It has a role as a complement factor B inhibitor and an immunomodulator. It is a member of benzoic acids, a member of indoles, a monocarboxylic acid, an ether, a member of piperidines, a diether and a tertiary amino compound. It is a conjugate base of an iptacopan(1+).

CAS Number1644670-37-0
PubChem CID90467622
IUPAC Name4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
Molecular FormulaC25H30N2O4
Molecular Weight422.5
XLogP1.8
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity594
SMILES
CCO[C@H]1CCN([C@@H](C1)C2=CC=C(C=C2)C(=O)O)CC3=C(C=C(C4=C3C=CN4)C)OC
InChI
InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1
InChIKey
RENRQMCACQEWFC-UGKGYDQZSA-N
Chemical Structure
2D Structure
2D structure of Iptacopan
CAS: 1644670-37-0
CID: 90467622
Formula: C25H30N2O4
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass422.22055744
Monoisotopic Mass422.22055744
Topological Polar Surface Area74.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity594
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
C8699-10Iptacopan
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CS-O-53704Iptacopan D3
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CS-O-56840N-nitroso Iptacopan
T69628-01Iptacopan hydrochloride hydrate
C01083-01Iptacopan (LNP023) Hydrochloride

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