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COH000

CAT: 1410-M12160-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M12160-06Size:100 mg
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Description
COH000 (COH-000) is a highly selective, first-in-class, irreversible, allosteric, covalent inhibitor of SUMO-Activating Enzyme E1.
CAS Number
1534358-79-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
419.477
Molecular Formula
C25H25NO5
Notes
Research use only, not for human use.
Receptor
SUMO-activatingenzyme

Chemical Information

(1R,4S)-Dimethyl 1-((R)-1-(phenylamino)-2-(p-tolyl)ethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CAS Number1534358-79-6
PubChem CID60156415
IUPAC Namedimethyl (1R,4S)-1-[(1R)-1-anilino-2-(4-methylphenyl)ethyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Molecular FormulaC25H25NO5
Molecular Weight419.5
XLogP4
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity745
SMILES
CC1=CC=C(C=C1)C[C@H]([C@]23C=C[C@H](O2)C(=C3C(=O)OC)C(=O)OC)NC4=CC=CC=C4
InChI
InChI=1S/C25H25NO5/c1-16-9-11-17(12-10-16)15-20(26-18-7-5-4-6-8-18)25-14-13-19(31-25)21(23(27)29-2)22(25)24(28)30-3/h4-14,19-20,26H,15H2,1-3H3/t19-,20+,25-/m0/s1
InChIKey
UFPINDDCTUCUSA-DFIYOIEZSA-N
Chemical Structure
2D Structure
2D structure of (1R,4S)-Dimethyl 1-((R)-1-(phenylamino)-2-(p-tolyl)ethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CAS: 1534358-79-6
CID: 60156415
Formula: C25H25NO5
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass419.17327290
Monoisotopic Mass419.17327290
Topological Polar Surface Area73.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity745
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

Alternative Products

CatalogName
407992COH000
A17122-25COH000 25mg
A17122-10COH000 10mg
A17122-2COH000 2mg
A17122-100COH000 100mg
A17122-1COH000 1mg
A17122-50COH000 50mg
A17122-5COH000 5mg
A17122-10mM-DCOH000 10mM * 1mL in DMSO

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