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Giredestrant

CAT: 1410-M23885-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M23885-02Size:1 mL x 10 mM in DMSO
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Description
Giredestrant potently competes with estradiol for binding and induces a conformational change within the ER ligand binding domain. Giredestrant has anti-tumor activity.
CAS Number
1953133-47-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
522.55
Molecular Formula
C27H31F5N4O
Notes
Research use only, not for human use.
Receptor
ER

Chemical Information

Giredestrant

Giredestrant is under investigation in clinical trial NCT06065748 (A Study to Evaluate Efficacy and Safety of Giredestrant Compared With Fulvestrant (Plus a CDK4/6 Inhibitor), in Participants With Er-positive, Her2-negative Advanced Breast Cancer Resistant to Adjuvant Endocrine Therapy (Pionera Breast Cancer)).

CAS Number1953133-47-5
PubChem CID121410806
IUPAC Name3-[(1R,3R)-1-[2,6-difluoro-4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
Molecular FormulaC27H31F5N4O
Molecular Weight522.6
XLogP4.8
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity746
SMILES
C[C@@H]1CC2=C([C@H](N1CC(CO)(F)F)C3=C(C=C(C=C3F)NC4CN(C4)CCCF)F)NC5=CC=CC=C25
InChI
InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1
InChIKey
GQCXHIKRWBIQMD-AKJBCIBTSA-N
Chemical Structure
2D Structure
2D structure of Giredestrant
CAS: 1953133-47-5
CID: 121410806
Formula: C27H31F5N4O
MW: 522.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.6
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass522.24180244
Monoisotopic Mass522.24180244
Topological Polar Surface Area54.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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