BX-320

CAT: 0804-HY-10515Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-10515Size:1 mg

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Description

BX-320 is a selective, ATP-competitive, orally acitive, and direct PDK1 inhibitor with an IC50 of 30 nM in a direct kinase assay format. BX-320 also induces apoptosis. Anticancer effect[1].

CAS Number

702676-93-5

UNSPSC

12352005

Target

PDK-1

Type

Reference compound

Related Pathways

PI3K/Akt/mTOR

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/bx-320.html

Purity

99.4

Solubility

DMSO : 1 mg/mL (ultrasonic; warming)

Smiles

O=C(C(C)(C)C(N)=O)NCCCNC1=C(Br)C=NC(NC2=CC=CC(NC(N3CCCC3)=O)=C2)=N1

Molecular Formula

C23H31BrN8O3

Molecular Weight

547.45

References & Citations

[1]Richard I Feldman, et al. Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1. J Biol Chem. 2005 May 20;280 (20) :19867-74.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

BX-320

CAS Number	702676-93-5
PubChem CID	657138
IUPAC Name	N'-[3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide
Molecular Formula	C23H31BrN8O3
Molecular Weight	547.4
XLogP	3
Topological Polar Surface Area	154
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	35
Formal Charge	0
Complexity	734

SMILES

CC(C)(C(=O)N)C(=O)NCCCNC1=NC(=NC=C1Br)NC2=CC(=CC=C2)NC(=O)N3CCCC3

InChI

InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31)

InChIKey

ZNSULAZTNWFKEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 702676-93-5

CID: 657138

Formula: C23H31BrN8O3

MW: 547.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	547.4
XLogP3	3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	546.17025
Monoisotopic Mass	546.17025
Topological Polar Surface Area	154 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	734
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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