Products for Research Use Only

Jaspamycin

CAT: 0013-GTR19206423-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206423-01Size:5 mg
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Description
Jaspamycin (7-CN-7-C-Ino) is a potent activator of Protein Kinase A (PKA) in Trypanosoma brucei, binding the regulatory subunit with high affinity (Kd ~8 nM) . It exhibits anti-parasitic activity, making it a valuable research tool for studying kinetoplastid biology and cAMP signaling pathways in vitro.
CAS Number
22242-96-2
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Infectious Disease & Virology, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O[C@H]1[C@H] (N2C3=C (C (C#N) =C2) C (=O) N=CN3) O[C@H] (CO) [C@H]1O
Molecular Formula
C12H12N4O5
Molecular Weight
292.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jaspamycin
CAS Number22242-96-2
PubChem CID136670059
IUPAC Name7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Molecular FormulaC12H12N4O5
Molecular Weight292.25
XLogP-2.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity517
SMILES
C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O)C#N
InChI
InChI=1S/C12H12N4O5/c13-1-5-2-16(10-7(5)11(20)15-4-14-10)12-9(19)8(18)6(3-17)21-12/h2,4,6,8-9,12,17-19H,3H2,(H,14,15,20)/t6-,8-,9-,12-/m1/s1
InChIKey
SKDKFLFSBDYEDO-WOUKDFQISA-N
Chemical Structure
2D Structure
2D structure of Jaspamycin
CAS: 22242-96-2
CID: 136670059
Formula: C12H12N4O5
MW: 292.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight292.25
XLogP3-2.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass292.08076950
Monoisotopic Mass292.08076950
Topological Polar Surface Area140 Ų
Heavy Atom Count21
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes