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PT2977

CAT: 0926-XRC66824-01Size: 0.1 gDry Ice: NoHazardous: No
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CAT#:0926-XRC66824-01Size:0.1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1672668-24-4
Smiles
CS (=O) (=O) C1=C2[C@@H] ([C@@H] ([C@@H] (C2=C (C=C1) OC3=CC (=CC (=C3) C#N) F) F) F) O
Molecular Formula
C17H12F3NO4S
Molecular Weight
383.34 g/mol
Controlled
No

Chemical Information

Belzutifan

Belzutifan is an inhibitor of hypoxia-inducible factor 2α (HIF-2α) used in the treatment of von Hippel-Lindau (VHL) disease-associated cancers. The HIF-2α protein was first identified in the 1990s by researchers at UT Southwestern Medical Center as a key player in the growth of certain cancers. Initially considered to be undruggable, a binding pocket was eventually discovered in the HIF-2α molecule which allowed for compounds to bind and inhibit these proteins. This discovery led to the initial development of belzutifan (at the time called PT2977), which was further developed by a spin-off company named Peloton Pharmaceuticals (which itself was eventually acquired by Merck in 2019). Belzutifan inhibits the complexation of HIF-2α with another transcription factor, HIF-1β, a necessary step in its activation - by preventing the formation of this complex, belzutifan can slow or stop the growth of VHL-associated tumors. Belzutifan received FDA approval for the treatment of select VHL-associated cancers on August 13, 2021. It was later approved for the treatment of locally advanced, unresectable, or metastatic pheochromocytoma or paraganglioma (PPGL) in patients aged 12 years and older.

CAS Number1672668-24-4
PubChem CID117947097
IUPAC Name3-[[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]oxy]-5-fluorobenzonitrile
Molecular FormulaC17H12F3NO4S
Molecular Weight383.3
XLogP2
Topological Polar Surface Area95.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity675
SMILES
CS(=O)(=O)C1=C2[C@@H]([C@@H]([C@@H](C2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)F)O
InChI
InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
InChIKey
LOMMPXLFBTZENJ-ZACQAIPSSA-N
Chemical Structure
2D Structure
2D structure of Belzutifan
CAS: 1672668-24-4
CID: 117947097
Formula: C17H12F3NO4S
MW: 383.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.3
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass383.04391352
Monoisotopic Mass383.04391352
Topological Polar Surface Area95.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity675
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3842929-01PT2977
S8886-25mgBelzutifan (PT2977)
A18465-5PT2977 5mg
A18465-50PT2977 50mg
A18465-10PT2977 10mg
A18465-1PT2977 1mg
A18465-200PT2977 200mg
A18465-100PT2977 100mg
A18465-25PT2977 25mg
A18465-10mM-DPT2977 10mM * 1mL in DMSO

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