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Chemical structure of SENP1-IN-1

GC65469

SENP1-IN-1

Also known as (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-N-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxamide

SENP1-IN-1 is a specific deSUMOylation protease 1 (SENP1) inhibitor extracted from patent CN110627860, Compound 29· SENP1-IN-1 is developed for tumor radiosensitivity enhancement

ChemicalCAS2416910-69-3MW570.85FormulaC35H58N2O4
CAS number
2416910-69-3
Molecular weight
570.85
Formula
C35H58N2O4
InChIKey
GYEWLVQWUVDKKH-SKHUFZRLSA-N
Catalogue number
GC65469
Brand
GLPBIO
Computed properties PubChem CID 162642615 · XLogP 5.9 · TPSA 89.9 Ų · H-bond donors 3
XLogP
5.9
TPSA
89.9 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
41

SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)NCC(=O)N(C)CCO

Computed descriptors from PubChem (CID 162642615), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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