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SPI-05

CAT: 0013-GTR19264296-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264296-02Size:50 mg
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Description
SPI-05 is a non-competitive inhibitor of SUMO-specific proteases (SENP1/2) with an IC50 of 60 μM. It has potential applications in cancer research, particularly in the study of prostate cancer with SENP1 overexpression and solid tumors driven by hypoxia.
CAS Number
5463-64-9
Field of Research
Protein Biochemistry
Smiles
O=S (=O) (O) C1=CC (N=NC2=CC=C (N) C=3C=CC=CC23) =CC=C1C=CC4=CC=C (N=NC5=CC=C (N) C=6C=CC=CC56) C=C4S (=O) (=O) O
Molecular Formula
C34H26N6O6S2
Molecular Weight
678.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-(2-(4-amino-1-naphthalenyl)diazenyl)-

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CAS Number5463-64-9
PubChem CID5463299
IUPAC Name5-[(4-aminonaphthalen-1-yl)diazenyl]-2-[(E)-2-[4-[(4-aminonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Molecular FormulaC34H26N6O6S2
Molecular Weight678.7
XLogP6.4
Topological Polar Surface Area227
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count48
Formal Charge0
Complexity1290
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N=NC5=CC=C(C6=CC=CC=C65)N)S(=O)(=O)O)S(=O)(=O)O)N
InChI
InChI=1S/C34H26N6O6S2/c35-29-15-17-31(27-7-3-1-5-25(27)29)39-37-23-13-11-21(33(19-23)47(41,42)43)9-10-22-12-14-24(20-34(22)48(44,45)46)38-40-32-18-16-30(36)26-6-2-4-8-28(26)32/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37?,40-38?
InChIKey
BEOHKTZPLVXCFG-MQJWSLAISA-N
Chemical Structure
2D Structure
2D structure of Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-(2-(4-amino-1-naphthalenyl)diazenyl)-
CAS: 5463-64-9
CID: 5463299
Formula: C34H26N6O6S2
MW: 678.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight678.7
XLogP36.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass678.13552492
Monoisotopic Mass678.13552492
Topological Polar Surface Area227 Ų
Heavy Atom Count48
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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