AZD9898

CAT: 0931-T14387-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T14387-05Size:50 mg

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

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CAS Number

2042347-69-1

Target

Leukotriene Receptor, GST

Related Pathways

Oxidation-Reduction, GPCR/G Protein

Purity

0.9926

Bioactivity

AZD9898 is an inhibitor of leukotriene-C4 synthetase with an IC50 of 0.28 nM. AZD9898 can be used in studies about asthma. AZD9898 mitigates the GABA binding and hepatic toxicity signal.

Smiles

COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F

Molecular Formula

C20H19ClF3N3O4

Molecular Weight

457.83

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid

CAS Number	2042347-69-1
PubChem CID	122670110
IUPAC Name	trans-(1S,2S)-2-[5-(5-chloro-2,4-difluoro-N-(2-fluoro-2-methylpropyl)anilino)-3-methoxypyrazine-2-carbonyl]cyclopropane-1-carboxylic acid
Molecular Formula	C20H19ClF3N3O4
Molecular Weight	457.8
XLogP	3.5
Topological Polar Surface Area	92.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	688

SMILES

CC(C)(CN(C1=CC(=C(C=C1F)F)Cl)C2=CN=C(C(=N2)OC)C(=O)[C@H]3C[C@@H]3C(=O)O)F

InChI

InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1

InChIKey

RVMWIVNHZMXEHS-UWVGGRQHSA-N

Chemical Structure

2D Structure

CAS: 2042347-69-1

CID: 122670110

Formula: C20H19ClF3N3O4

MW: 457.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	457.8
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	457.1016183
Monoisotopic Mass	457.1016183
Topological Polar Surface Area	92.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	688
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

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SGD34769-01	AZD9898
A18959-50	AZD9898 50mg
A18959-5	AZD9898 5mg
A18959-1	AZD9898 1mg
A18959-100	AZD9898 100mg
A18959-25	AZD9898 25mg
A18959-10	AZD9898 10mg

AZD9898

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