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AZD9977

CAT: 0931-T9022-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T9022-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1850385-64-6
Target
Glucocorticoid Receptor
Related Pathways
Endocrinology/Hormones
Purity
0.9992
Bioactivity
AZD9977 is a novel, selective modulator of mineralocorticoid receptor .
Smiles
CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Molecular Formula
C20H18FN3O5
Molecular Weight
399.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azd-9977

AZD-9977 is under investigation in clinical trial NCT03843060 (A Phase 1 Study to Assess the Pharmacokinetics of AZD9977 Administered Alone and in Combination With Itraconazole in Healthy Volunteers).

CAS Number1850385-64-6
PubChem CID118599727
IUPAC Name2-[(3S)-7-fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
Molecular FormulaC20H18FN3O5
Molecular Weight399.4
XLogP1.1
Topological Polar Surface Area97
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity662
SMILES
CNC(=O)C[C@H]1COC2=C(N1C(=O)C3=CC4=C(C=C3)OCC(=O)N4)C=CC(=C2)F
InChI
InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1
InChIKey
MBKYLPOPYYLTNW-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Azd-9977
CAS: 1850385-64-6
CID: 118599727
Formula: C20H18FN3O5
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass399.12304885
Monoisotopic Mass399.12304885
Topological Polar Surface Area97 Ų
Heavy Atom Count29
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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