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UPCDC30766

CAT: 0013-GTR19218722-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218722-01Size:25 mg
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Description
UPCDC30766 is a highly potent, allosteric p97 inhibitor with a 12 nM IC50. This compound is a valuable research tool for studying colon cancer mechanisms and has demonstrated utility in both in vitro and in vivo experimental models.
CAS Number
2152623-68-0
Field of Research
Protein Biochemistry
Smiles
O=C (OCC#CC1=CC (F) =C (OCC2=NN=C (SC3C=CCCC3) N2C=4C=NC=CC4) C=C1F) NC5CCN (C) CC5
Molecular Formula
C30H32F2N6O3S
Molecular Weight
594.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Upcdc30766
CAS Number2152623-68-0
PubChem CID168432141
IUPAC Name3-[4-[[5-[(1R)-cyclohex-2-en-1-yl]sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methoxy]-2,5-difluorophenyl]prop-2-ynyl N-(1-methylpiperidin-4-yl)carbamate
Molecular FormulaC30H32F2N6O3S
Molecular Weight594.7
XLogP4.5
Topological Polar Surface Area120
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity973
SMILES
CN1CCC(CC1)NC(=O)OCC#CC2=CC(=C(C=C2F)OCC3=NN=C(N3C4=CN=CC=C4)S[C@@H]5CCCC=C5)F
InChI
InChI=1S/C30H32F2N6O3S/c1-37-14-11-22(12-15-37)34-30(39)40-16-6-7-21-17-26(32)27(18-25(21)31)41-20-28-35-36-29(42-24-9-3-2-4-10-24)38(28)23-8-5-13-33-19-23/h3,5,8-9,13,17-19,22,24H,2,4,10-12,14-16,20H2,1H3,(H,34,39)/t24-/m0/s1
InChIKey
YBCFFJLDKVTSPF-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of Upcdc30766
CAS: 2152623-68-0
CID: 168432141
Formula: C30H32F2N6O3S
MW: 594.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.7
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass594.22246640
Monoisotopic Mass594.22246640
Topological Polar Surface Area120 Ų
Heavy Atom Count42
Formal Charge0
Complexity973
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-155026-01UPCDC30766

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