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TEI-9647

CAT: 0013-GTR19203018-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203018-02Size:100 mg
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Description
TEI-9647 is a synthetic analog of 1α,25-dihydroxyvitamin D3-26,23-lactone that acts as a potent antagonist of vitamin D receptor (VDR) -mediated genomic signaling. This compound is a valuable research tool for studying vitamin D physiology and has been utilized in both cellular (in vitro) and animal (in vivo) models to investigate pathways involving VDR antagonism.
CAS Number
173388-20-0
Field of Research
Metabolism Research
Smiles
[H][C@@]12CC[C@H] ([C@H] (C) C[C@H]3CC (=C) C (=O) O3) [C@@]1 (C) CCC\C2=C/C=C1/C[C@@H] (O) C[C@H] (O) C1=C
Molecular Formula
C27H38O4
Molecular Weight
426.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tei 9647

(23S)-1-hydroxy-25,27-didehydrovitamin D3 26,23-lactone is a vitamin D.

CAS Number173388-20-0
PubChem CID9547692
IUPAC Name(5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one
Molecular FormulaC27H38O4
Molecular Weight426.6
XLogP4.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity821
SMILES
C[C@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI
InChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21-,22+,23-,24+,25+,27-/m1/s1
InChIKey
SAODSJHDCZTVAT-CZADFQNYSA-N
Chemical Structure
2D Structure
2D structure of Tei 9647
CAS: 173388-20-0
CID: 9547692
Formula: C27H38O4
MW: 426.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass426.27700969
Monoisotopic Mass426.27700969
Topological Polar Surface Area66.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity821
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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