TP-5801

CAT: 0804-HY-147316-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-147316-02Size:10 mg

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Description

TP-5801 is an orally active TNK1 (non-receptor tyrosine kinase) inhibitor (IC50=1.40 nM), and shows anti-tumor activity[1].

CAS Number

2574474-81-8

UNSPSC

12352005

Target

STAT; TNK1

Type

Reference compound

Related Pathways

JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/tp-5801.html

Purity

98.55

Solubility

DMSO : 16.67 mg/mL (ultrasonic)

Smiles

CN1CCN(C2=C(C)C=C(NC3=NC=C(Br)C(NC4=CC=CN=C4N(C)C)=N3)C(OC)=C2)CC1

Molecular Formula

C24H31BrN8O

Molecular Weight

527.46

References & Citations

[1]Tsz-Yin Chan, et al. TNK1 is a ubiquitin-binding and 14-3-3-regulated kinase that can be targeted to block tumor growth. Nat Commun. 2021 Sep 9;12 (1) :5337.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture and light)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

5-Bromo-N4-[2-(dimethylamino)-3-pyridinyl]-N2-[2-methoxy-5-methyl-4-(4-methyl-1-piperazinyl)phenyl]-2,4-pyrimidinediamine

CAS Number	2574474-81-8
PubChem CID	155457009
IUPAC Name	5-bromo-4-N-[2-(dimethylamino)-3-pyridinyl]-2-N-[2-methoxy-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
Molecular Formula	C24H31BrN8O
Molecular Weight	527.5
XLogP	4.3
Topological Polar Surface Area	81.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	622

SMILES

CC1=CC(=C(C=C1N2CCN(CC2)C)OC)NC3=NC=C(C(=N3)NC4=C(N=CC=C4)N(C)C)Br

InChI

InChI=1S/C24H31BrN8O/c1-16-13-19(21(34-5)14-20(16)33-11-9-32(4)10-12-33)29-24-27-15-17(25)22(30-24)28-18-7-6-8-26-23(18)31(2)3/h6-8,13-15H,9-12H2,1-5H3,(H2,27,28,29,30)

InChIKey

CPJOTOBXAWKVCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2574474-81-8

CID: 155457009

Formula: C24H31BrN8O

MW: 527.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	527.5
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	526.18042
Monoisotopic Mass	526.18042
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	622
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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TP-5801

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