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Chemical structure of 3,5-dimethyl PIT-1

GC42237

3,5-dimethyl PIT-1

Also known as N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3,5-dimethylbenzamide

PtdIns-(3,4,5)-P3 (PIP3) serves as an anchor for the binding of signal transduction proteins bearing pleckstrin homology (PH) domains such as phosphatidylinositol 3-kinase (PI3K) or PTEN

ChemicalCAS701947-53-7MW345.4FormulaC16H15N3O4S
CAS number
701947-53-7
Molecular weight
345.4
Formula
C16H15N3O4S
Solubility
DMF： 30 mg/ml,DMF：PBS(pH 7·2)(1：1)： 0·5 mg/ml,DMSO： 20 mg/ml,Ethanol： 0·2 mg/ml
InChIKey
CGWBCAQMXJFWBU-UHFFFAOYSA-N
Catalogue number
GC42237
Brand
GLPBIO
Computed properties PubChem CID 4999938 · XLogP 3.7 · TPSA 139 Ų · H-bond donors 3
XLogP
3.7
TPSA
139 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24

SMILES CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C

Computed descriptors from PubChem (CID 4999938), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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