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DM-PIT-1

CAT: 0804-HY-124348-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124348-02Size:5 mg
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Description
DM-PIT-1 is a PIP3/PH (phosphatidylinositol-3,4,5-triphosphate/Pleckstrin) interaction inhibitor. DM-PIT-1 decreases he expression of P-Akt, P-GSK-3-β, P-p70S6K, P-S6, P-4E-BP1. DM-PIT-1 induces apoptosis and shows anticancer activity. DM-PIT-1 has the potential for the research of ovarian cancer[1][2].
CAS Number
701947-53-7
Product Name Alternative
3,5-Dimethyl PIT-1
UNSPSC
12352005
Target
Apoptosis; PI3K
Type
Reference compound
Related Pathways
Apoptosis; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dm-pit-1.html
Purity
99.9
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC(C)=CC(C)=C1)NC(NC2=C(C=CC([N+]([O-])=O)=C2)O)=S
Molecular Formula
C16H15N3O4S
Molecular Weight
345.37
References & Citations
[1]Riehle RD, et al. Micellar formulations of pro-apoptotic DM-PIT-1 analogs and TRAIL in vitro and in vivo. Drug Deliv. 2013 Feb;20 (2) :78-85. |[2]Miao B, et al. Small molecule inhibition of phosphatidylinositol-3,4,5-triphosphate (PIP3) binding to pleckstrin homology domains. Proc Natl Acad Sci U S A. 2010 Nov 16;107 (46) :20126-31.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3,5-dimethyl PIT-1
CAS Number701947-53-7
PubChem CID4999938
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3,5-dimethylbenzamide
Molecular FormulaC16H15N3O4S
Molecular Weight345.4
XLogP3.7
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity486
SMILES
CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C
InChI
InChI=1S/C16H15N3O4S/c1-9-5-10(2)7-11(6-9)15(21)18-16(24)17-13-8-12(19(22)23)3-4-14(13)20/h3-8,20H,1-2H3,(H2,17,18,21,24)
InChIKey
CGWBCAQMXJFWBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-dimethyl PIT-1
CAS: 701947-53-7
CID: 4999938
Formula: C16H15N3O4S
MW: 345.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass345.07832714
Monoisotopic Mass345.07832714
Topological Polar Surface Area139 Ų
Heavy Atom Count24
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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