GSK2636771

CAT: 0804-HY-15245-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-15245-01Size:5 mg

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Description

GSK2636771 is a potent, selective and orally bioavailable inhibitor of PI3Kβ with a Ki of 0.89 nM and an IC50 of 5.2 nM, showing 900-fold selectivity over p110α and p110γ, and 10-fold selectivity over p110δ isoforms.

CAS Number

1372540-25-4

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

PI3K

Type

Reference compound

Related Pathways

PI3K/Akt/mTOR

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/GSK2636771.html

Purity

99.59

Solubility

DMSO : 16.67 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

CC1=NC2=C(C(O)=O)C=C(C=C2N1CC3=CC=CC(C(F)(F)F)=C3C)N4CCOCC4

Molecular Formula

C22H22F3N3O3

Molecular Weight

433.42

Precautions

H302, H315, H319, H335

References & Citations

[1]Weigelt B, et al. PI3K pathway dependencies in endometrioid endometrial cancer cell lines. Clin Cancer Res. 2013, 19 (13), 3533-3544.|[2]Hosford SR, et al. Combined inhibition of both p110α and p110β isoforms of phosphatidylinositol 3-kinase is required for sustained therapeutic effect in PTEN-deficient, ER+ breast cancer. Clin Cancer Res. 2016 Nov 30

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 2

Isoform

PI3Kβ

Chemical Information

Gsk-2636771

GSK2636771 has been used in trials studying the treatment of CANCER, LYMPHOMA, Solid Neoplasm, Recurrent Solid Neoplasm, and Advanced Malignant Neoplasm, among others.

CAS Number	1372540-25-4
PubChem CID	56949517
IUPAC Name	2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
Molecular Formula	C22H22F3N3O3
Molecular Weight	433.4
XLogP	4
Topological Polar Surface Area	67.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	643

SMILES

CC1=C(C=CC=C1C(F)(F)F)CN2C(=NC3=C(C=C(C=C32)N4CCOCC4)C(=O)O)C

InChI

InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)

InChIKey

XTKLTGBKIDQGQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1372540-25-4

CID: 56949517

Formula: C22H22F3N3O3

MW: 433.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	433.4
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	433.16132606
Monoisotopic Mass	433.16132606
Topological Polar Surface Area	67.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	643
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GSK2636771

Chemical Information

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