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SMBA2

CAT: 0013-GTR19199631-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199631-01Size:25 mg
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Description
SMBA2
CAS Number
18304-79-5
Field of Research
Cell Biology
Smiles
N12CN3CN (CN (C1) CC2) CC3
Molecular Formula
C8H16N4
Molecular Weight
168.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,3,6,8-Tetraazatricyclo(6.2.1.13,6)dodecane, stereoisomer

1,3,6,8-tetraazatricyclo[6.2.1.1(3,6)]dodecane is an azatricycloalkane that is tricyclo[6.2.1.13,6]dodecane in which the four bridgehead CH groups are replaced by nitrogen atoms. It is a small-molecule BAX agonist. It has a role as an antineoplastic agent and an apoptosis inducer. It is a bridged compound, a tetramine and an azatricycloalkane.

CAS Number18304-79-5
PubChem CID87571
IUPAC Name1,3,6,8-tetrazatricyclo[6.2.1.13,6]dodecane
Molecular FormulaC8H16N4
Molecular Weight168.24
XLogP0.1
Topological Polar Surface Area13
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity148
SMILES
C1CN2CN1CN3CCN(C3)C2
InChI
InChI=1S/C8H16N4/c1-2-10-5-9(1)7-11-3-4-12(6-11)8-10/h1-8H2
InChIKey
ZBFHXDNNFOOFLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,6,8-Tetraazatricyclo(6.2.1.13,6)dodecane, stereoisomer
CAS: 18304-79-5
CID: 87571
Formula: C8H16N4
MW: 168.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.24
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass168.137496527
Monoisotopic Mass168.137496527
Topological Polar Surface Area13 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
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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