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ARV471

CAT: 0013-GTR19259462-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259462-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ARV471 is an orally bioavailable estrogen receptor-targeting (ER-targeting) PROTAC for the treatment of patients with locally advanced or metastatic ER+/HER2- breast cancer.
CAS Number
2229711-08-2
Molecular Formula
C45H49N5O4
Molecular Weight
723.9
Notes
For research use only.

Chemical Information

(Rac)-Vepdegestrant
CAS Number2229711-08-2
PubChem CID134579471
IUPAC Name3-[6-[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC45H49N5O4
Molecular Weight723.9
XLogP6.4
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count54
Formal Charge0
Complexity1310
SMILES
C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=CC=C3)C4=CC=C(C=C4)N5CCC(CC5)CN6CCN(CC6)C7=CC8=C(C=C7)C(=O)N(C8)C9CCC(=O)NC9=O
InChI
InChI=1S/C45H49N5O4/c51-37-12-15-39-33(27-37)8-13-38(31-4-2-1-3-5-31)43(39)32-6-9-35(10-7-32)48-20-18-30(19-21-48)28-47-22-24-49(25-23-47)36-11-14-40-34(26-36)29-50(45(40)54)41-16-17-42(52)46-44(41)53/h1-7,9-12,14-15,26-27,30,38,41,43,51H,8,13,16-25,28-29H2,(H,46,52,53)/t38-,41?,43+/m1/s1
InChIKey
TZZDVPMABRWKIZ-MFTLXVFQSA-N
Chemical Structure
2D Structure
2D structure of (Rac)-Vepdegestrant
CAS: 2229711-08-2
CID: 134579471
Formula: C45H49N5O4
MW: 723.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight723.9
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass723.37845506
Monoisotopic Mass723.37845506
Topological Polar Surface Area96.4 Ų
Heavy Atom Count54
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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