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AZD 9977

CAT: 1410-M12858-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M12858-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD9977 is a novel, first-in-class, selective and oral mineralocorticoid receptor (MR) modulator with pKi of 7.5, shows little to no affitnity for GR, PR and AR (pIC50<5.5) .
CAS Number
1850385-64-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
399.378
Molecular Formula
C20H18FN3O5
Notes
Research use only, not for human use.
Receptor
MLR

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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