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Chemical structure of FR900359

GC49089

FR900359

Also known as [(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16-pentamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-22-propan-2-yl-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-3-hydroxy-4-methyl-2-(propanoylamino)pentanoate

FR900359 is an inhibitor of G proteins Gαq, Gα11, and Gα14 with IC50 values of 13·18, 10·47, and 10nM, respectively and is isolated from the leaves of the ornamental plant Ardisia crenata

ChemicalCAS107530-18-7MW1002.2FormulaC49H75N7O15
CAS number
107530-18-7
Molecular weight
1002.2
Formula
C49H75N7O15
Solubility
Chloroform： soluble
InChIKey
IMXKHFILKMPFGB-ZWYWTTNJSA-N
Catalogue number
GC49089
Brand
GLPBIO
Computed properties PubChem CID 14101198 · XLogP 3.5 · TPSA 286 Ų · H-bond donors 5
XLogP
3.5
TPSA
286 Ų
H-bond donors
5
H-bond acceptors
15
Rotatable bonds
15
Heavy atoms
71

SMILES CCC(=O)N[C@@H]([C@@H](C(C)C)O)C(=O)O[C@@H]([C@H]1C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@@H](C(=O)N(C(=C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C)C)C)C)CC2=CC=CC=C2)NC(=O)C)C(C)C)[C@@H](C)OC)C)C(C)C

Computed descriptors from PubChem (CID 14101198), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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