Iptacopan

CAT: 0931-T11864-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T11864-01Size:1 mg

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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 Number	1644670-37-0
PubChem CID	90467622
IUPAC Name	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
XLogP	1.8
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	594

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

CAS: 1644670-37-0

CID: 90467622

Formula: C25H30N2O4

MW: 422.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	422.5
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	422.22055744
Monoisotopic Mass	422.22055744
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	594
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
HY-127105-01	Iptacopan
CS-O-53704	Iptacopan D3
GTR19165732-01	Iptacopan hydrochloride
HY-127105A-01	Iptacopan (hydrochloride)
E0119-100mg	Iptacopan (LNP023) Hydrochloride
A18905-500	Iptacopan (LNP023) 500mg
GTR19210389-01	Iptacopan hydrochloride hydrate
CS-O-56840	N-nitroso Iptacopan

Iptacopan

Chemical Information

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