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Chemical structure of Atrovastatin-PEG3-FITC

GC68708

Atrovastatin-PEG3-FITC

Also known as 1-[(3R,5R)-7-[3-[2-[2-[3-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]propoxy]ethoxy]ethoxy]propylamino]-3,5-dihydroxy-7-oxoheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide

Atorvastatin-PEG3-FITC (compound S31) is a KRAS-PDEδ interaction inhibitor· Atorvastatin-PEG3-FITC can act as a ligand in fluorescence anisotropy assays

ChemicalCAS1440755-31-6MW1150.31FormulaC64H68FN5O12S
CAS number
1440755-31-6
Molecular weight
1150.31
Formula
C64H68FN5O12S
Solubility
DMSO ： 100 mg/mL (86·93 mM; Need ultrasonic)
InChIKey
WHWNHUTWCMCCLV-YYACYCFASA-N
Catalogue number
GC68708
Brand
GLPBIO
Computed properties PubChem CID 89970567 · XLogP 7.8 · TPSA 263 Ų · H-bond donors 8
XLogP
7.8
TPSA
263 Ų
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
27
Heavy atoms
83

SMILES CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)NCCCOCCOCCOCCCNC(=S)NC2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O)O)O)C7=CC=C(C=C7)F)C8=CC=CC=C8)C(=O)NC9=CC=CC=C9

Computed descriptors from PubChem (CID 89970567), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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