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NB 001

CAT: 1410-M15621-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M15621-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, relatively selective and orally active adenylyl cyclase 1 (AC1) inhibitor with IC50 of 10 uM (cAMP production inhibition) .
CAS Number
686301-48-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
264.333
Molecular Formula
C12H20N6O
Notes
Research use only, not for human use.
Receptor
Adenylate Cyclase

Chemical Information

Nb-001

NB-001 has been investigated for the treatment of Recurrent Herpes Labialis.

CAS Number686301-48-4
PubChem CID2815031
IUPAC Name5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol
Molecular FormulaC12H20N6O
Molecular Weight264.33
XLogP-0.2
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity254
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCNCCCCCO)N
InChI
InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)
InChIKey
CVPTTZZCRDVGSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nb-001
CAS: 686301-48-4
CID: 2815031
Formula: C12H20N6O
MW: 264.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.33
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass264.16985928
Monoisotopic Mass264.16985928
Topological Polar Surface Area102 Ų
Heavy Atom Count19
Formal Charge0
Complexity254
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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