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VH 032 amide-PEG1-acid

CAT: 0931-T36285Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T36285Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2172820-07-2
Target
Others, E3 Ligase Ligand-Linker Conjugate, DNA Alkylator/Crosslinker
Related Pathways
PROTAC, Others, DNA Damage/DNA Repair
Bioactivity
Functionalized von-Hippel-Lindau (VHL) protein ligand for PROTAC research and development; incorporates an E3 ligase ligand plus a PEG1 linker with terminal carboxylic acid ready for conjugation to a target protein ligand. Part of a range of functionalized tool molecules for PROTAC R&D. PROTAC is a registered trademark of Arvinas Operations, Inc., and is used under license.
Smiles
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCC(O)=O)C(C)(C)C)cc1 |@:34|
Molecular Formula
C28H38N4O7S
Molecular Weight
574.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

VH 032 amide-PEG1-acid
CAS Number2172820-07-2
PubChem CID134184040
IUPAC Name3-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propanoic acid
Molecular FormulaC28H38N4O7S
Molecular Weight574.7
XLogP1.6
Topological Polar Surface Area186
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity890
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)CCOCCC(=O)O)O
InChI
InChI=1S/C28H38N4O7S/c1-17-24(40-16-30-17)19-7-5-18(6-8-19)14-29-26(37)21-13-20(33)15-32(21)27(38)25(28(2,3)4)31-22(34)9-11-39-12-10-23(35)36/h5-8,16,20-21,25,33H,9-15H2,1-4H3,(H,29,37)(H,31,34)(H,35,36)/t20-,21+,25-/m1/s1
InChIKey
HVPZHRHEHKZOOJ-TYBLODHISA-N
Chemical Structure
2D Structure
2D structure of VH 032 amide-PEG1-acid
CAS: 2172820-07-2
CID: 134184040
Formula: C28H38N4O7S
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass574.24612074
Monoisotopic Mass574.24612074
Topological Polar Surface Area186 Ų
Heavy Atom Count40
Formal Charge0
Complexity890
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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HY-145254Tri (TLR4-IN-C34-PEG2-amide-PEG1) -amide-C3-COOH
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