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SPOP-IN-6lc

CAT: 0013-GTR19243717-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19243717-01Size:1 g
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Description
SPOP-IN-1 is a selective SPOP E3 ubiquitin ligase inhibitor. SPOP-IN-1 leads to the accumulation of tumor suppressors PTEN and DUSP7 and decreased levels of phosphorylated AKT and ERK in clear-cell renal cell carcinoma.
CAS Number
2136270-56-7
Field of Research
Cancer Biology
Purity
>98% (HPLC)
Smiles
C (CC1=CC=CS1) N2C3=C (C (=O) N4C (=N3) C (C) =CC=C4) C=C (C (NCCN5CCN (C) CC5) =O) C2=N
Molecular Formula
C26H31N7O2S
Molecular Weight
505.64
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

SPOP-IN-6lc
CAS Number2136270-56-7
PubChem CID155532456
IUPAC Name6-imino-11-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-7-(2-thiophen-2-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Molecular FormulaC26H31N7O2S
Molecular Weight505.6
XLogP1.4
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity1100
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CS4)C(=O)NCCN5CCN(CC5)C
InChI
InChI=1S/C26H31N7O2S/c1-18-5-3-9-33-23(18)29-24-21(26(33)35)17-20(22(27)32(24)10-7-19-6-4-16-36-19)25(34)28-8-11-31-14-12-30(2)13-15-31/h3-6,9,16-17,27H,7-8,10-15H2,1-2H3,(H,28,34)
InChIKey
CQWPQOGWIPGPOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SPOP-IN-6lc
CAS: 2136270-56-7
CID: 155532456
Formula: C26H31N7O2S
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass505.22599443
Monoisotopic Mass505.22599443
Topological Polar Surface Area124 Ų
Heavy Atom Count36
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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