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T338C Src-IN-2

CAT: 0804-HY-16906-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16906-02Size:10 mg
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Description
T338C Src-IN-2 is a potent mutant c-Src T338C kinase inhibitor with IC50 of 317 nM; also inhibits T338C/V323A and T338C/V323S with IC50 of 57 nM/19 nM.
CAS Number
1351927-00-8
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/T338C-Src-IN-2.html
Purity
98.41
Solubility
10 mM in DMSO
Smiles
NC1=C2C(N(C(C)C)N=C2CC3=CC(C(CF)=O)=CC=C3)=NC=N1
Molecular Formula
C17H18FN5O
Molecular Weight
327.36
References & Citations
[1]Garske AL, et al. Chemical genetic strategy for targeting protein kinases based on covalent complementarity. Proc Natl Acad Sci U S A. 2011 Sep 13;108 (37) :15046-52.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

T338C Src-IN-2
CAS Number1351927-00-8
PubChem CID54751746
IUPAC Name1-[3-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-2-fluoroethanone
Molecular FormulaC17H18FN5O
Molecular Weight327.36
XLogP2.6
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity449
SMILES
CC(C)N1C2=NC=NC(=C2C(=N1)CC3=CC(=CC=C3)C(=O)CF)N
InChI
InChI=1S/C17H18FN5O/c1-10(2)23-17-15(16(19)20-9-21-17)13(22-23)7-11-4-3-5-12(6-11)14(24)8-18/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,21)
InChIKey
WEPKWIAJJGCTLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of T338C Src-IN-2
CAS: 1351927-00-8
CID: 54751746
Formula: C17H18FN5O
MW: 327.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight327.36
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass327.14953838
Monoisotopic Mass327.14953838
Topological Polar Surface Area86.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes