KB SRC 4

CAT: 0804-HY-108488-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-108488-05Size:50 mg

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

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Description

KB SRC 4 is a potent, and highly selective c-Src inhibitor, with a Ki of 44 nM and a Kd of 86 nM, and shows no inhibition on c-Abl up to 125 μM; KB SRC 4 has antitumor activity.

CAS Number

1380088-03-8

UNSPSC

12352005

Target

Src

Type

Reference compound

Related Pathways

Protein Tyrosine Kinase/RTK

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/KB_SRC_4.html

Purity

99.22

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

NC1=C2C(N(C3=CC=CC(C4=CN=NN4CC5=CC(C6=CC=CC=C6)=CC=C5)=C3)N=C2C7=CC=C(Cl)C=C7)=NC=N1

Molecular Formula

C32H23ClN8

Molecular Weight

555.03

References & Citations

[1]Brandvold KR, et al. Development of a highly selective c-Src kinase inhibitor. ACS Chem Biol. 2012 Aug 17;7 (8) :1393-8.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

KB Src 4

CAS Number	1380088-03-8
PubChem CID	73349077
IUPAC Name	3-(4-chlorophenyl)-1-[3-[3-[(3-phenylphenyl)methyl]triazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
Molecular Formula	C32H23ClN8
Molecular Weight	555.0
XLogP	6.4
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	41
Formal Charge	0
Complexity	835

SMILES

C1=CC=C(C=C1)C2=CC=CC(=C2)CN3C(=CN=N3)C4=CC(=CC=C4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)Cl)N

InChI

InChI=1S/C32H23ClN8/c33-26-14-12-23(13-15-26)30-29-31(34)35-20-36-32(29)41(38-30)27-11-5-10-25(17-27)28-18-37-39-40(28)19-21-6-4-9-24(16-21)22-7-2-1-3-8-22/h1-18,20H,19H2,(H2,34,35,36)

InChIKey

UHIZYQVRKSWIFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1380088-03-8

CID: 73349077

Formula: C32H23ClN8

MW: 555.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	555.0
XLogP3	6.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	554.1734205
Monoisotopic Mass	554.1734205
Topological Polar Surface Area	100 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	835
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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HY-105449A	KB R6933
HY-142069-01	KB-R7785
HY-175542	KB-15
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KB SRC 4

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