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Chemical structure of Apomine

GC74102

Apomine

Also known as 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-ditert-butylphenol

Apomine (SR-45023A) is an antineoplastic agent that inhibits the mevalonate/isoprenoid pathway in cholesterol synthesis

ChemicalCAS126411-13-0MW562.66FormulaC28H52O7P2
CAS number
126411-13-0
Molecular weight
562.66
Formula
C28H52O7P2
Solubility
DMSO ： 20 mg/mL (35·55 mM; ultrasonic and warming and heat to 60°C)
InChIKey
YLJOVCWVJCDPLN-UHFFFAOYSA-N
Catalogue number
GC74102
Brand
GLPBIO
Computed properties PubChem CID 176405 · XLogP 7 · TPSA 91.3 Ų · H-bond donors 1
XLogP
7
TPSA
91.3 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
37

SMILES CC(C)OP(=O)(C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OC(C)C)OC(C)C)OC(C)C

Computed descriptors from PubChem (CID 176405), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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