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Giredestrant

CAT: 0931-T11399-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11399-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1953133-47-5
Target
Estrogen Receptor/ERR, Estrogen/progestogen Receptor
Related Pathways
Endocrinology/Hormones
Purity
0.9956
Bioactivity
Giredestrant (GDC-9545) potently competes with estradiol for binding and induces a conformational change within the ER ligand binding domain. Giredestrant has anti-tumor activity. Giredestrant, a non-steroidal ER ligand, is an orally active and selective estrogen receptor (ER) antagonist.
Smiles
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Molecular Formula
C27H31F5N4O
Molecular Weight
522.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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