BX-795

CAT: 0957-S1274-01Size: 10 mgDry Ice: YesHazardous: No

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CAT#:0957-S1274-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

BX-795 is a potent and specific PDK1 inhibitor with IC50 of 6 nM, 140- and 1600-fold more selective for PDK1 than PKA and PKC in cell-free assays, respectively. Meanwhile, in comparison to GSK3β more than 100-fold selectivity observed for PDK1. BX-795 modulates autophagy via inhibiting ULK1. BX-795 also is a potent TBK1 inhibitor that blocks both TBK1 and IKKε with IC 50 values of 6 nM and 41 nM, respectively.

CAS Number

702675-74-9

Target

IκB/IKK

Activity

NF-κB

Molecular Formula

C23H26IN7O2S

Storage Conditions

2 years -80 in solvent

Chemical Information

N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide

N-[3-[[5-iodo-4-[3-[[oxo(thiophen-2-yl)methyl]amino]propylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide is a member of ureas.

CAS Number	702675-74-9
PubChem CID	10077147
IUPAC Name	N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
Molecular Formula	C23H26IN7O2S
Molecular Weight	591.5
XLogP	4.6
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	34
Formal Charge	0
Complexity	669

SMILES

C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I

InChI

InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)

InChIKey

VAVXGGRQQJZYBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 702675-74-9

CID: 10077147

Formula: C23H26IN7O2S

MW: 591.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	591.5
XLogP3	4.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	591.09134
Monoisotopic Mass	591.09134
Topological Polar Surface Area	140 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	669
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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S1275-100mg	BX-912
S1275-01	BX-912
S1275-10mM/1mL	BX-912

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A11148-5	BX-795 5mg

BX-795

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