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Src Inhibitor 3

CAT: 0931-T13000-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T13000-07Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2380027-49-4
Target
Src
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.9874
Bioactivity
Src Inhibitor 3 is an effective inhibitor of c-terminal Src kinase (IC50 <3 nM in CSK HTRF, <4 nM in Caliper assay) . Src Inhibitor 3 increases T cell proliferation induced by T cell receptor signaling.
Smiles
COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)CC(C)(C)C#N)c3ccc(F)cc23)cc1Cl
Molecular Formula
C34H32ClFN8O4
Molecular Weight
671.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Src Inhibitor 3
CAS Number2380027-49-4
PubChem CID139600340
IUPAC NameN-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-1-[1-(3-cyano-3-methylbutanoyl)piperidin-4-yl]-5-fluoroindazole-3-carboxamide
Molecular FormulaC34H32ClFN8O4
Molecular Weight671.1
XLogP3.9
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count48
Formal Charge0
Complexity1240
SMILES
CC(C)(CC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)F)C(=N2)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=C6C=CC(=CN6N=C5)OC)Cl)C#N
InChI
InChI=1S/C34H32ClFN8O4/c1-34(2,19-37)16-30(45)42-12-10-22(11-13-42)44-29-8-4-20(36)14-24(29)31(41-44)33(47)39-21-5-7-27(26(35)15-21)40-32(46)25-17-38-43-18-23(48-3)6-9-28(25)43/h4-9,14-15,17-18,22H,10-13,16H2,1-3H3,(H,39,47)(H,40,46)
InChIKey
LQQYARMJQBHKQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Src Inhibitor 3
CAS: 2380027-49-4
CID: 139600340
Formula: C34H32ClFN8O4
MW: 671.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight671.1
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass670.2219074
Monoisotopic Mass670.2219074
Topological Polar Surface Area147 Ų
Heavy Atom Count48
Formal Charge0
Complexity1240
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

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