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NU6102

CAT: 0127-BUP13386-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13386-03Size:10 mg
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CAS Number
444722-95-6
Synonyms
NU 6102, NU-6102
Purity
=98%
Smiles
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1

Chemical Information

O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
CAS Number444722-95-6
PubChem CID4566
IUPAC Name4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide
Molecular FormulaC18H22N6O3S
Molecular Weight402.5
XLogP3.2
Topological Polar Surface Area144
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity601
SMILES
C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
InChIKey
OWXORKPNCHJYOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
CAS: 444722-95-6
CID: 4566
Formula: C18H22N6O3S
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass402.14740976
Monoisotopic Mass402.14740976
Topological Polar Surface Area144 Ų
Heavy Atom Count28
Formal Charge0
Complexity601
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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Alternative Products

CatalogName
BA3784-50NU6102
USA72295-01Cdk1/2 Inhibitor II, NU6102
MBS6110117-01NU6102 (O6-Cyclohexylmethyl-2-(4-sulfamoylanilino)purine)
045108-01NU6102 (O6-Cyclohexylmethyl-2- (4-sulfamoylanilino) purine)

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