U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C45H49N5O4
Molecular Weight 723.9017
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vepdegestrant

SMILES

OC1=CC=C2[C@H]([C@H](CCC2=C1)C3=CC=CC=C3)C4=CC=C(C=C4)N5CCC(CN6CCN(CC6)C7=CC8=C(C=C7)C(=O)N(C8)[C@H]9CCC(=O)NC9=O)CC5

InChI

InChIKey=TZZDVPMABRWKIZ-XMOGEVODSA-N
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

HIDE SMILES / InChI

Molecular Formula C45H49N5O4
Molecular Weight 723.9017
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:50:12 GMT 2023
Edited
by admin
on Sat Dec 16 14:50:12 GMT 2023
Record UNII
WC1U3R1YMI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vepdegestrant
INN   USAN  
Official Name English
vepdegestrant [INN]
Common Name English
2,6-Piperidinedione, 3-[1,3-dihydro-1-oxo-5-[4-[[1-[4-[(1R,2S)-1,2,3,4-tetrahydro-6-hydroxy-2-phenyl-1-naphthalenyl]phenyl]-4-piperidinyl]methyl]-
Systematic Name English
PF-07850327
Code English
(2¹R,2²S,8³S)-2⁶-hydroxy-2¹,2²,2³,2⁴-tetrahydro-7(5,2)-isoindola-6(1,4)-piperazina-4(1,4),8(3)-dipiperidina-2(2,1)-naphthalena-1(1),3(1,4)-dibenzenaoctaphane-7¹,8²,8⁶(7³H)-trione
Systematic Name English
ARV-471 (PROTAC)
Code English
VEPDEGESTRANT [USAN]
Common Name English
ARV471
Code English
ARV-471
Code English
Code System Code Type Description
NCI_THESAURUS
C165420
Created by admin on Sat Dec 16 14:50:13 GMT 2023 , Edited by admin on Sat Dec 16 14:50:13 GMT 2023
PRIMARY
USAN
LM-92
Created by admin on Sat Dec 16 14:50:13 GMT 2023 , Edited by admin on Sat Dec 16 14:50:13 GMT 2023
PRIMARY
SMS_ID
300000041131
Created by admin on Sat Dec 16 14:50:13 GMT 2023 , Edited by admin on Sat Dec 16 14:50:13 GMT 2023
PRIMARY
CAS
2229711-68-4
Created by admin on Sat Dec 16 14:50:13 GMT 2023 , Edited by admin on Sat Dec 16 14:50:13 GMT 2023
PRIMARY
PUBCHEM
134562533
Created by admin on Sat Dec 16 14:50:13 GMT 2023 , Edited by admin on Sat Dec 16 14:50:13 GMT 2023
PRIMARY
INN
12157
Created by admin on Sat Dec 16 14:50:13 GMT 2023 , Edited by admin on Sat Dec 16 14:50:13 GMT 2023
PRIMARY
FDA UNII
WC1U3R1YMI
Created by admin on Sat Dec 16 14:50:13 GMT 2023 , Edited by admin on Sat Dec 16 14:50:13 GMT 2023
PRIMARY
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