Products for Research Use Only
RegisterLogin

PROTAC ER Degrader-14

CAT: 0804-HY-170340Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-170340Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
PROTAC ER Degrader-14 (compound 86) is a PTORAC-type Estrogen Receptor/ERR degrader, which is composed of E3 ubiquitin ligase ligand (blue part) (S) -Deoxy-thalidomide , PROTAC Linker (black part) N-Boc-piperazine (HY-30105) and target protein ligand (red part) ER ligand-6 (HY-170341). Among them, E3 ligase + Linker constitute tert-Butyl (S) -4- (2- (2,6-dioxopiperidin-3-yl) -1-oxoisoindolin-5-yl) piperazine-1-carboxylate (HY-W998234).
CAS Number
2504911-73-1
UNSPSC
12352005
Target
Estrogen Receptor/ERR; PROTACs
Related Pathways
PROTAC; Vitamin D Related/Nuclear Receptor
Field of Research
Cancer
Smiles
O=C1N([C@H](C(N2)=O)CCC2=O)CC3=C1C=CC(N4CCN(CC5CCN(C6=CC=C([C@H]7[C@@H](C8=CC=CC=C8)COC9=C7C=CC(O)=C9)C=C6F)CC5)CC4)=C3
Molecular Formula
C44H46FN5O5
Molecular Weight
743.86
References & Citations
[1]Preparation of chroman derivatives having estrogen receptor degradation activity and uses thereof. United States, US10800770 B1 2020-10-13.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PROTAC ER Degrader-14
CAS Number2504911-73-1
PubChem CID155172545
IUPAC Name(3S)-3-[6-[4-[[1-[2-fluoro-4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC44H46FN5O5
Molecular Weight743.9
XLogP5.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count55
Formal Charge0
Complexity1370
SMILES
C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC(=C3)N4CCN(CC4)CC5CCN(CC5)C6=C(C=C(C=C6)[C@H]7[C@H](COC8=C7C=CC(=C8)O)C9=CC=CC=C9)F
InChI
InChI=1S/C44H46FN5O5/c45-37-23-30(42-35-10-8-33(51)24-40(35)55-27-36(42)29-4-2-1-3-5-29)6-11-38(37)49-16-14-28(15-17-49)25-47-18-20-48(21-19-47)32-7-9-34-31(22-32)26-50(44(34)54)39-12-13-41(52)46-43(39)53/h1-11,22-24,28,36,39,42,51H,12-21,25-27H2,(H,46,52,53)/t36-,39+,42-/m1/s1
InChIKey
DFRVIUOFCDWFGR-QLMCDVMBSA-N
Chemical Structure
2D Structure
2D structure of PROTAC ER Degrader-14
CAS: 2504911-73-1
CID: 155172545
Formula: C44H46FN5O5
MW: 743.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight743.9
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass743.34829775
Monoisotopic Mass743.34829775
Topological Polar Surface Area106 Ų
Heavy Atom Count55
Formal Charge0
Complexity1370
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

Related Products

CatalogName
HY-168270PROTAC ER Degrader-11
HY-128527PROTAC ER Degrader-3
HY-174453PROTAC ERα Degrader-12
HY-170336PROTAC ERα Degrader-10
HY-160563PROTAC ERα Degrader-8
HY-112098-01PROTAC ERα Degrader-1
HY-160264PROTAC ER Degrader-12
HY-178961PROTAC ERα Degrader-13
HY-163679PROTAC ERα Degrader-9
HY-135309-01PROTAC ER Degrader-4

Alternative Products

CatalogName
T200758-01PROTAC SMARCA2 degrader-14
T74126-01PROTAC BRD4 Degrader-14
T211487-01PROTAC EGFR degrader 14
GTR19276976-01PROTAC BET Degrader-14
T204554-01PROTAC ER Degrader-14
T209410-01PROTAC METTL3-14 degrader 1
T13845PROTAC PARP1 degrader
JFC27550-01PROTAC cIAP1 degrader-4
T74602-01PROTAC EZH2 Degrader-1
T18604PROTAC CRBN Degrader-1

Popular Products