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PROTAC VHL-type degrader-1

CAT: 0931-T88086-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T88086-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2821804-13-9
Target
PROTACs
Related Pathways
PROTAC
Bioactivity
PROTACVHL-type degrader-1 is a VHL-type PROTAC degrader. It promotes the degradation of ATM and synergistically enhances the efficacy of the ATR inhibitor, AZD6738.
Smiles
O=C1\C(\C=2C(N1CCCC3=CN(CCCCCC(N[C@H](C(=O)N4[C@H](C(NCC5=CC=C(C=C5)C6=C(C)N=CS6)=O)C[C@@H](O)C4)C(C)(C)C)=O)N=N3)=CC=CC2)=C\7/C=8C(NC7=O)=CC=CC8
Molecular Formula
C49H55N9O6S
Molecular Weight
898.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC VHL-type degrader-1
CAS Number2821804-13-9
PubChem CID171714290
IUPAC Name(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[3-[2-hydroxy-3-(2-oxoindol-3-yl)indol-1-yl]propyl]triazol-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC49H55N9O6S
Molecular Weight898.1
XLogP5.7
Topological Polar Surface Area225
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count18
Heavy Atom Count65
Formal Charge0
Complexity1860
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCN4C=C(N=N4)CCCN5C6=CC=CC=C6C(=C5O)C7=C8C=CC=CC8=NC7=O)O
InChI
InChI=1S/C49H55N9O6S/c1-30-43(65-29-51-30)32-21-19-31(20-22-32)26-50-45(61)39-25-34(59)28-58(39)48(64)44(49(2,3)4)53-40(60)18-6-5-11-23-56-27-33(54-55-56)13-12-24-57-38-17-10-8-15-36(38)42(47(57)63)41-35-14-7-9-16-37(35)52-46(41)62/h7-10,14-17,19-22,27,29,34,39,44,59,63H,5-6,11-13,18,23-26,28H2,1-4H3,(H,50,61)(H,53,60)/t34-,39+,44-/m1/s1
InChIKey
JMKJBGWUGVQXJT-SVJXQAPASA-N
Chemical Structure
2D Structure
2D structure of PROTAC VHL-type degrader-1
CAS: 2821804-13-9
CID: 171714290
Formula: C49H55N9O6S
MW: 898.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight898.1
XLogP35.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count18
Exact Mass897.39960168
Monoisotopic Mass897.39960168
Topological Polar Surface Area225 Ų
Heavy Atom Count65
Formal Charge0
Complexity1860
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

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Alternative Products

CatalogName
HY-158345-01PROTAC VHL-type degrader-1
HY-178034PROTAC OSBP Degrader-1
HY-176857-01PROTAC STAT6 degrader-1
HY-175830PROTAC AURKA degrader 1
HY-175358PROTAC USP7 Degrader-1
HY-173135PROTAC KDM4 degrader-1
HY-172208-01PROTAC cGAS degrader-1
HY-163897-01PROTAC NCOA4 degrader-1
HY-163609PROTAC AKR1C3 degrader-1
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