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Chemical structure of UBA5-IN-1

GC70082

UBA5-IN-1

Also known as zinc;(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[6-oxo-6-(1,4,7,10-tetrazacyclododec-1-yl)hexyl]oxolane-2-carboxamide;bis(trifluoromethanesulfonate)

UBA5-IN-1 (compound 8·5) is a selective inhibitor of UBA5 with an IC50 value of 4·0 μM· UBA5-IN-1 inhibits the proliferation of Sk-Luci6 cancer cells that overexpress UBA5

ChemicalCAS1831169-11-9MW912.16FormulaC26H40F6N10O11S2Zn
CAS number
1831169-11-9
Molecular weight
912.16
Formula
C26H40F6N10O11S2Zn
Solubility
DMF ： 100 mg/mL (109·63 mM; Need ultrasonic)
InChIKey
DLPRYIVGTKSVTR-WAYDLRBYSA-L
Catalogue number
GC70082
Brand
GLPBIO
Computed properties PubChem CID 165437237 · TPSA 336 Ų · H-bond donors 7 · H-bond acceptors 24
TPSA
336 Ų
H-bond donors
7
H-bond acceptors
24
Rotatable bonds
8
Heavy atoms
56

SMILES C1CNCCN(CCNCCN1)C(=O)CCCCCNC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zn+2]

Computed descriptors from PubChem (CID 165437237), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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