Acebilustat

CAT: 0931-T3715-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T3715-05Size:25 mg

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

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CAS Number

943764-99-6

Target

LTR, Aminopeptidase

Related Pathways

Metabolism, Immunology/Inflammation

Purity

0.9988

Bioactivity

Acebilustat (CTX-4430) (ZK322) is an effective and specific leukotriene B4 hydrolase inhibitor.

Smiles

[H][C@]12CN(Cc3ccc(cc3)C(O)=O)[C@]([H])(CN1Cc1ccc(Oc3ccc(cc3)-c3ncco3)cc1)C2

Molecular Formula

C29H27N3O4

Molecular Weight

481.54

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Acebilustat

Acebilustat is under investigation in clinical trial NCT01748838 (Phase 1 Study Assessing the Safety and Tolerability of CTX-4430).

CAS Number	943764-99-6
PubChem CID	68488178
IUPAC Name	4-[[(1S,4S)-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
Molecular Formula	C29H27N3O4
Molecular Weight	481.5
XLogP	2.2
Topological Polar Surface Area	79
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	36
Formal Charge	0
Complexity	728

SMILES

C1[C@H]2CN([C@@H]1CN2CC3=CC=C(C=C3)OC4=CC=C(C=C4)C5=NC=CO5)CC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C29H27N3O4/c33-29(34)23-5-1-20(2-6-23)16-31-18-25-15-24(31)19-32(25)17-21-3-9-26(10-4-21)36-27-11-7-22(8-12-27)28-30-13-14-35-28/h1-14,24-25H,15-19H2,(H,33,34)/t24-,25-/m0/s1

InChIKey

GERJIEKMNDGSCS-DQEYMECFSA-N

Chemical Structure

2D Structure

CAS: 943764-99-6

CID: 68488178

Formula: C29H27N3O4

MW: 481.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	481.5
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	481.20015635
Monoisotopic Mass	481.20015635
Topological Polar Surface Area	79 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	728
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
440762-01	Acebilustat
A20867-100	Acebilustat 100mg
A20867-50	Acebilustat 50mg
A20867-25	Acebilustat 25mg
HY-17625R-01	Acebilustat (Standard)
A20867-200	Acebilustat 200mg
A20867-2	Acebilustat 2mg
A20867-1	Acebilustat 1mg
A20867-10	Acebilustat 10mg
A20867-5	Acebilustat 5mg

Acebilustat

Chemical Information

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