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Nuclear Receptors
Vitamin D receptor-like receptors
TEI-9647 , CAS No.173388-20-0, Antagonist of Vitamin D receptor

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TEI-9647 , CAS No.173388-20-0, Antagonist of Vitamin D receptor

COA

Grade & Purity:

Moligand™

Cas Number: 173388-20-0
PubChem CID: 9547692

In stock

Item Number

T614370

Grouped product items
SKU	Size	Availability	Price	Qty
T614370-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,380.90
T614370-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,830.90

View related series

Vitamin D receptor Antagonist (2)

Basic Description

Synonyms	(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone \| MS-27532 \| (23S)-1-hydroxy-25,27-didehydrovitamin D3 26,23-lactone \| TEI 9647 \| TEI9647 \| TEI-9647 \| 2(3H)-Furanone, 5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecycl
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of Vitamin D receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Vitamin D and derivatives

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Vitamin D and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Vitamin D and derivatives
Alternative Parents	Triterpenoids Steroid lactones Gamma butyrolactones Tetrahydrofurans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Triterpenoid - Steroid lactone - Gamma butyrolactone - Cyclic alcohol - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
External Descriptors	Vitamin D3 and derivatives
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

VDR Tclin Vitamin D3 receptor (1 Activities)

Discover Target: VDR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

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
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
Smiles	CC(CC1CC(=C)C(=O)O1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
Isomeric 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
Alternate CAS	173388-20-0
PubChem CID	9547692
MeSH Entry Terms	25-dehydro-1-hydroxyvitamin D(3)-26,23-lactone;25-dehydro-1-hydroxyvitamin D3-26,23-lactone;TEI 9647;TEI 9648;TEI-9647;TEI-9648

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	426.600 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	426.277 Da
Monoisotopic Mass	426.277 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	821.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

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