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PIT-1

CAT: 0804-HY-103224-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-103224-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PIT-1 is a selective PIP3 (phosphatidylinositol 3,4,5-trisphosphate) antagonist. PIT-1 inhibits cancer cell survival and induces apoptosis by inhibition of PIP3 dependent PI3K / Akt signaling. PIT-1 exhibits antitumor activity in vivo[1].
CAS Number
53501-41-0
UNSPSC
12352005
Hazard Statement
H302, H400
Target
PI3K
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pit-1.html
Purity
98.56
Solubility
DMSO : 62.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(NC(NC1=CC([N+]([O-])=O)=CC(Cl)=C1O)=S)C2=CC=CC=C2
Molecular Formula
C14H10ClN3O4S
Molecular Weight
351.76
Precautions
H302, H400
References & Citations
[1]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
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
CAS Number53501-41-0
PubChem CID3664359
IUPAC NameN-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
Molecular FormulaC14H10ClN3O4S
Molecular Weight351.8
XLogP3.6
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity467
SMILES
C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O
InChI
InChI=1S/C14H10ClN3O4S/c15-10-6-9(18(21)22)7-11(12(10)19)16-14(23)17-13(20)8-4-2-1-3-5-8/h1-7,19H,(H2,16,17,20,23)
InChIKey
RIGXBXPAOGDDIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
CAS: 53501-41-0
CID: 3664359
Formula: C14H10ClN3O4S
MW: 351.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.8
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass351.0080547
Monoisotopic Mass351.0080547
Topological Polar Surface Area139 Ų
Heavy Atom Count23
Formal Charge0
Complexity467
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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