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Thalidomide-5-NH2-CH2-COOH

CAT: 1568-C02072Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C02072Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2412056-27-8
SKU
C02072-5mg
Target
Trk receptor
Applications
Protein Tyrosine Kinase
Smiles
OC (=O) CNC1=CC=C2C (=O) N (C3CCC (=O) NC3=O) C (=O) C2=C1
Additionnal Information
Thalidomide-5-NH2-CH2-COOH is a potent and selective inhibitor of tropomyosin receptor kinase (Trk) .
Storage Conditions
3 years -20°C powder

Chemical Information

2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]amino}acetic acid
CAS Number2412056-27-8
PubChem CID146410371
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid
Molecular FormulaC15H13N3O6
Molecular Weight331.28
XLogP-0.1
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity618
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NCC(=O)O
InChI
InChI=1S/C15H13N3O6/c19-11-4-3-10(13(22)17-11)18-14(23)8-2-1-7(16-6-12(20)21)5-9(8)15(18)24/h1-2,5,10,16H,3-4,6H2,(H,20,21)(H,17,19,22)
InChIKey
ZATMCTCUKSYXHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]amino}acetic acid
CAS: 2412056-27-8
CID: 146410371
Formula: C15H13N3O6
MW: 331.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.28
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass331.08043514
Monoisotopic Mass331.08043514
Topological Polar Surface Area133 Ų
Heavy Atom Count24
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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