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GDC-0077

CAT: 0926-KHD57102-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-KHD57102-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2060571-02-8
MDL Number
MFCD31382124
Smiles
CC (C (=O) N) NC1=CC2=C (C=C1) C3=NC (=CN3CCO2) N4C (COC4=O) C (F) F
Molecular Formula
C18H19F2N5O4
Molecular Weight
407.37 g/mol
Controlled
No

Chemical Information

Inavolisib

PIK3CA is one of the most frequently mutated oncogenes, with the resulting mutated p110α protein it encodes playing a central role in tumor cell proliferation. Chemotherapeutic agents targeting the PI3K p110α catalytic subunit have shown antitumor activity and a manageable safety profile - some of which are in clinical use, like [alpelisib] - but preclinical studies have shown that PI3K pathway inhibition releases negative feedback and activates receptor tyrosine kinase signaling, reengaging the pathway and attenuating drug activity. Newer PI3K inhibitors, like inavolisib, seek to mitigate this attenuation. Inavolisib is an inhibitor of PI3Kα that was approved by the FDA in October 2024 for the treatment of certain patients with advanced breast cancers. In February 2025, it was approved by Health Canada for the same indication.

CAS Number2060571-02-8
PubChem CID124173720
IUPAC Name(2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
Molecular FormulaC18H19F2N5O4
Molecular Weight407.4
XLogP1.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity641
SMILES
C[C@@H](C(=O)N)NC1=CC2=C(C=C1)C3=NC(=CN3CCO2)N4[C@@H](COC4=O)C(F)F
InChI
InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1
InChIKey
SGEUNORSOZVTOL-CABZTGNLSA-N
Chemical Structure
2D Structure
2D structure of Inavolisib
CAS: 2060571-02-8
CID: 124173720
Formula: C18H19F2N5O4
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass407.14051043
Monoisotopic Mass407.14051043
Topological Polar Surface Area112 Ų
Heavy Atom Count29
Formal Charge0
Complexity641
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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Alternative Products

CatalogName
MBS3603203-01GDC-0077
S8668-25mgInavolisib (GDC-0077)
A19494-100Inavolisib (GDC-0077, RG6114) 100mg
A19494-5Inavolisib (GDC-0077, RG6114) 5mg
A19494-50Inavolisib (GDC-0077, RG6114) 50mg
A19494-25Inavolisib (GDC-0077, RG6114) 25mg
A19494-10Inavolisib (GDC-0077, RG6114) 10mg
A19494-1Inavolisib (GDC-0077, RG6114) 1mg
A19494-10mM-DInavolisib (GDC-0077, RG6114) 10mM * 1mL in DMSO
T131668-01Compound 0449-0077

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