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Iptacopan

CAT: 0931-T11864-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T11864-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1644670-37-0
Target
Others, Complement System
Related Pathways
Others, Immunology/Inflammation
Purity
>99.99%
Bioactivity
Iptacopan (LNP023) is an inhibitor with high affinity to factor B, with a KD value of 7.9 nM and an IC50 value of 10 nM.
Smiles
CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O
Molecular Formula
C25H30N2O4
Molecular Weight
422.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
BUP16236-01Iptacopan hydrochloride
HY-127105A-01Iptacopan (hydrochloride)
CS-O-53704Iptacopan D3
CS-O-56840N-nitroso Iptacopan
MBS5812176Iptacopan hydrochloride hydrate
C01083-5mgIptacopan (LNP023) Hydrochloride
A18905-100Iptacopan (LNP023) 100mg
A18905-1Iptacopan (LNP023) 1mg
A18905-500Iptacopan (LNP023) 500mg

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