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VVD-214

CAT: 1568-C01984-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01984-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3026500-20-6
Synonyms
RO7589831, VVD-133214
SKU
C01984-5mg
Target
Others
Applications
Others
Additionnal Information
VVD-214 (RO7589831, VVD-133214) is a synthetic allosteric inhibitor of WRN helicase. VVD-214 binds irreversibly to cysteine 727 on WRN, suppressing ATP hydrolysis and helicase activity. VVD-214 exhibits potent efficacy in inducing double-stranded DNA breaks, nuclear enlargement, and cellular apoptosis in cancers with high microsatellite instability (MSI) .

Chemical Information

(S,E)-N-(1-Cyclopropyl-3-(methylsulfonyl)allyl)-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
CAS Number3026500-20-6
PubChem CID170717998
IUPAC NameN-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
Molecular FormulaC20H21F2N3O4S
Molecular Weight437.5
XLogP2.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity731
SMILES
CC(C1=NC=C(C(=N1)OC2=CC=CC=C2)C(=O)N[C@H](/C=C/S(=O)(=O)C)C3CC3)(F)F
InChI
InChI=1S/C20H21F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,10-13,16H,8-9H2,1-2H3,(H,24,26)/b11-10+/t16-/m1/s1
InChIKey
UWPFUBNCDABUEE-SIFUEBAJSA-N
Chemical Structure
2D Structure
2D structure of (S,E)-N-(1-Cyclopropyl-3-(methylsulfonyl)allyl)-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
CAS: 3026500-20-6
CID: 170717998
Formula: C20H21F2N3O4S
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass437.12208366
Monoisotopic Mass437.12208366
Topological Polar Surface Area107 Ų
Heavy Atom Count30
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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