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PBIT

CAT: 0804-HY-101451-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-101451-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PBIT is a specific inhibitor of the Jumonji AT-rich Interactive Domain 1 (JARID1) enzymes. PBIT inhibits JARID1B (KDM5B or PLU1) histone demethylase with an IC50 of about 3 μM . PBIT also inhibits JARID1A and JARID1C with IC50s of 6 μM and 4.9 μM, respectively[1].
CAS Number
2514-30-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Histone Demethylase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pbit.html
Purity
99.46
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1N(C2=CC=C(C)C=C2)SC3=C1C=CC=C3
Molecular Formula
C14H11NOS
Molecular Weight
241.31
Precautions
H302, H315, H319, H335
References & Citations
[1]Sayegh J, et al. Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen. J Biol Chem. 2013 Mar 29;288 (13) :9408-17.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
KDM5

Chemical Information

2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one
CAS Number2514-30-9
PubChem CID935415
IUPAC Name2-(4-methylphenyl)-1,2-benzothiazol-3-one
Molecular FormulaC14H11NOS
Molecular Weight241.31
XLogP3.4
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity299
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
InChIKey
KRXMYBAZKJBJAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one
CAS: 2514-30-9
CID: 935415
Formula: C14H11NOS
MW: 241.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.31
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass241.05613515
Monoisotopic Mass241.05613515
Topological Polar Surface Area45.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity299
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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