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AZD5718

CAT: 0013-GTR19210034-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210034-03Size:100 mg
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Description
AZD5718 is a potent and selective FLAP inhibitor (IC50 = 2.0 nM) for coronary artery disease research, demonstrating >90% suppression of leukotriene production in vitro and a favorable preclinical safety profile in rat and dog models, supporting its ongoing clinical phase 2a evaluation.
CAS Number
2041076-43-9
Field of Research
Immunology & Inflammation
Smiles
CC=1C=C (N (N1) C2CCCCO2) C3=CC=C (C (=O) [C@H]4[C@H] (C (NC5=C6N (N=C5) CCNC6=O) =O) CCCC4) C=C3
Molecular Formula
C29H34N6O4
Molecular Weight
530.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Flap-IN-1
CAS Number2041076-43-9
PubChem CID124189474
IUPAC Nametrans-(1R,2R)-2-[4-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
Molecular FormulaC29H34N6O4
Molecular Weight530.6
XLogP3.3
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity910
SMILES
CC1=NN(C(=C1)C2=CC=C(C=C2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4=C5C(=O)NCCN5N=C4)C6CCCCO6
InChI
InChI=1S/C29H34N6O4/c1-18-16-24(35(33-18)25-8-4-5-15-39-25)19-9-11-20(12-10-19)27(36)21-6-2-3-7-22(21)28(37)32-23-17-31-34-14-13-30-29(38)26(23)34/h9-12,16-17,21-22,25H,2-8,13-15H2,1H3,(H,30,38)(H,32,37)/t21-,22-,25?/m1/s1
InChIKey
STCBLTCFJMDESY-QQMHWKEJSA-N
Chemical Structure
2D Structure
2D structure of Flap-IN-1
CAS: 2041076-43-9
CID: 124189474
Formula: C29H34N6O4
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass530.26415359
Monoisotopic Mass530.26415359
Topological Polar Surface Area120 Ų
Heavy Atom Count39
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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