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Chemical structure of ML-299

GC44223

ML-299

Also known as 4-bromo-N-[(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]benzamide

ML-299 is a dual inhibitor of the two mammalian forms of phospholipase D (PLD), PLD1 and PLD2 (IC50s = 6 and 20 nM, respectively)

ChemicalCAS1426916-00-8MW489.4FormulaC23H26BrFN4O2
CAS number
1426916-00-8
Molecular weight
489.4
Formula
C23H26BrFN4O2
Solubility
DMF： 30 mg/ml,DMF：PBS (pH 7·2) (1：20)： 0·5 mg/ml,DMSO： 25 mg/ml,Ethanol： 1 mg/ml
InChIKey
RFKXAYJUFUZBMA-INIZCTEOSA-N
Catalogue number
GC44223
Brand
GLPBIO
Computed properties PubChem CID 56593054 · XLogP 3.5 · TPSA 64.7 Ų · H-bond donors 2
XLogP
3.5
TPSA
64.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31

SMILES C[C@@H](CN1CCC2(CC1)C(=O)NCN2C3=CC(=CC=C3)F)NC(=O)C4=CC=C(C=C4)Br

Computed descriptors from PubChem (CID 56593054), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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