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AZD8186

CAT: 0013-GTR19213725-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213725-01Size:5 mg
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Description
AZD8186
CAS Number
1296270-45-5
Notes
For research use only.

Chemical Information

8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

AZD8186 is a member of the class of chromones that is chromone substituted by morpholin-4-yl, dimethylaminoacyl, and (1R)-1-(3,5-difluoroanilino)ethyl groups at positions 2, 6, and 8, respectively. It is a potent inhibitor of PI3K-beta (IC50 = 4nM) and PI3K-delta (IC50 = 12nM) with selectivity over PI3K-alpha (IC50 = 35 nM) and PI3K-gamma (IC50 = 675 nM). It has a role as an antineoplastic agent and an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is a tertiary carboxamide, a member of chromones, a difluorobenzene, a member of morpholines, a substituted aniline and a secondary amino compound.

CAS Number1296270-45-5
PubChem CID52913929
IUPAC Name8-[1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
Molecular FormulaC24H25F2N3O4
Molecular Weight457.5
XLogP3
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity748
SMILES
CC(C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F
InChI
InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3
InChIKey
LMJFJIDLEAWOQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CAS: 1296270-45-5
CID: 52913929
Formula: C24H25F2N3O4
MW: 457.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight457.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass457.18131261
Monoisotopic Mass457.18131261
Topological Polar Surface Area71.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity748
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes