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Tei 6472

CAT: 0931-T26255-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26255-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
151379-49-6
Target
Others, Histamine Receptor
Related Pathways
GPCR/G Protein, Immunology/Inflammation, Others, Neuroscience
Bioactivity
Tei 6472 is a more hydrophilic form of TEI-1338 which is a novel, selective lipoxygenase inhibitor.
Smiles
[C@H](CCCCN)(C(O)=O)N.C(=C/C1=CC2=C(C=C1)C=CC=C2)\[C@H]3[C@H](CCCC(NC4=C(C(O)=O)C=CC=C4)=O)C3
Molecular Formula
C32H39N3O5
Molecular Weight
545.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tei 6472

a more hydrophilic form of TEI-1338

CAS Number151379-49-6
PubChem CID6440732
IUPAC Name(2S)-2,6-diaminohexanoic acid;2-[4-[(1R,2R)-2-[(E)-2-naphthalen-2-ylethenyl]cyclopropyl]butanoylamino]benzoic acid
Molecular FormulaC32H39N3O5
Molecular Weight545.7
Topological Polar Surface Area156
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity736
SMILES
C1[C@H]([C@@H]1/C=C/C2=CC3=CC=CC=C3C=C2)CCCC(=O)NC4=CC=CC=C4C(=O)O.C(CCN)C[C@@H](C(=O)O)N
InChI
InChI=1S/C26H25NO3.C6H14N2O2/c28-25(27-24-10-4-3-9-23(24)26(29)30)11-5-8-21-17-22(21)15-13-18-12-14-19-6-1-2-7-20(19)16-18;7-4-2-1-3-5(8)6(9)10/h1-4,6-7,9-10,12-16,21-22H,5,8,11,17H2,(H,27,28)(H,29,30);5H,1-4,7-8H2,(H,9,10)/b15-13+;/t21-,22-;5-/m10/s1
InChIKey
YGBVPCMYQLKRDM-OQPSHMOASA-N
Chemical Structure
2D Structure
2D structure of Tei 6472
CAS: 151379-49-6
CID: 6440732
Formula: C32H39N3O5
MW: 545.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight545.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass545.28897135
Monoisotopic Mass545.28897135
Topological Polar Surface Area156 Ų
Heavy Atom Count40
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes