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Chemical structure of Jaspamycin

GC65303

Jaspamycin

Also known as 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Jaspamycin (7-CN-7-C-Ino) is a potent activator of PKA, binding to the R site (PKAR), with an EC50 of 6·5 nM and Kd of 8 nM in Trypanosoma brucei

ChemicalCAS22242-96-2MW292.25FormulaC12H12N4O5
CAS number
22242-96-2
Molecular weight
292.25
Formula
C12H12N4O5
Solubility
DMSO ： 41·67 mg/mL (142·58 mM; Need ultrasonic)
InChIKey
SKDKFLFSBDYEDO-UHFFFAOYSA-N
Catalogue number
GC65303
Brand
GLPBIO
Computed properties PubChem CID 135509643 · XLogP -2.1 · TPSA 140 Ų · H-bond donors 4
XLogP
-2.1
TPSA
140 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
21

SMILES C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CNC2=O)C#N

Computed descriptors from PubChem (CID 135509643), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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