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Cis-VZ185

CAT: 0804-HY-114322A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114322A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cis-VZ185 is a VHL-based PROTACs degrader with the activity of degrading BRD9 and BRD7. cis-VZ185 can be optimized from suboptimal compounds by optimizing the connection mode and linker, and has efficient, rapid and selective degradation of BRD9 and its homologous protein BRD7.
CAS Number
2306193-98-4
UNSPSC
12352005
Target
Epigenetic Reader Domain; PROTACs
Type
Reference compound
Related Pathways
Epigenetics; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cis-vz185.html
Smiles
CN1C=C(C2=CC=NC=C2C1=O)C3=CC(OC)=C(CN4CCN(CCCCCOC5=C(CNC([C@H]6N(C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)C[C@@H](O)C6)=O)C=CC(C8=C(N=CS8)C)=C5)CC4)C(OC)=C3
Molecular Formula
C53H67FN8O8S
Molecular Weight
995.21
References & Citations
[1]Iterative design and optimization of initially inactive proteolysis targeting chimeras (PROTACs) identify VZ185 as a potent, fast, and selective von Hippel–Lindau (VHL) …
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

cis-VZ 185
CAS Number2306193-98-4
PubChem CID146018960
IUPAC Name(2S,4S)-N-[[2-[5-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
Molecular FormulaC53H67FN8O8S
Molecular Weight995.2
XLogP5.1
Topological Polar Surface Area207
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count20
Heavy Atom Count71
Formal Charge0
Complexity1850
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)C4(CC4)F)O)OCCCCCN5CCN(CC5)CC6=C(C=C(C=C6OC)C7=CN(C(=O)C8=C7C=CN=C8)C)OC
InChI
InChI=1S/C53H67FN8O8S/c1-33-46(71-32-57-33)34-11-12-35(27-56-48(64)42-26-37(63)29-62(42)50(66)47(52(2,3)4)58-51(67)53(54)14-15-53)43(23-34)70-22-10-8-9-17-60-18-20-61(21-19-60)31-41-44(68-6)24-36(25-45(41)69-7)40-30-59(5)49(65)39-28-55-16-13-38(39)40/h11-13,16,23-25,28,30,32,37,42,47,63H,8-10,14-15,17-22,26-27,29,31H2,1-7H3,(H,56,64)(H,58,67)/t37-,42-,47+/m0/s1
InChIKey
ZAGCLFXBHOXXEN-ZLGHNAGESA-N
Chemical Structure
2D Structure
2D structure of cis-VZ 185
CAS: 2306193-98-4
CID: 146018960
Formula: C53H67FN8O8S
MW: 995.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight995.2
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count20
Exact Mass994.47866046
Monoisotopic Mass994.47866046
Topological Polar Surface Area207 Ų
Heavy Atom Count71
Formal Charge0
Complexity1850
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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