Triptophenolide Triptophenolide (Hypolide), derived from Tripterygium wilfordii, is a pan-antagonist for wild-type and mutant androgen receptors with the IC50 values of 260 nM for AR-WT, 480 nM for AR-F876L, 388 nM for AR-T877A, and 437 nM for W741C+T877A.

Targets

AR-WT ; AR-T877A ; AR-F876L 260 nM; 388 nM; 480 nM

仕様

同義語

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

Triptophenolide (Hypolide), derived from Tripterygium wilfordii, is a pan-antagonist for wild-type and mutant androgen receptors with the IC50 values of 260 nM for AR-WT, 480 nM for AR-F876L, 388 nM for AR-T877A, and 437 nM for W741C+T877A.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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製品の性質

ALogP

4.63

HBD数

回転可能な結合

名前と識別子

パブケム・シド

528776400

カノニカル・スマイル

CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2)COC4=O)C)O

IUPAC Name

(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one

InChIKey

KPXIBWGPZSPABK-FXAWDEMLSA-N

INCHI

1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3/t17-,20+/m0/s1

異性体SMILES

CC(C)C1=C(C2=C(C=C1)[C@]3(CCC4=C([C@@H]3CC2)COC4=O)C)O

PubChem CID

173273

分子量

312.4

ドキュメント

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詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - 分類 Steroids and steroid derivatives
    - Subclass Oxosteroids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
分類	Steroids and steroid derivatives
Subclass	Oxosteroids
Intermediate Tree Nodes	Not available
Direct Parent	Oxosteroids
Alternative Parents	Hydroxysteroids 17-oxosteroids Oxasteroids and derivatives Phenanthrenes and derivatives Tetralins 1-hydroxy-4-unsubstituted benzenoids Butenolides Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	4-hydroxysteroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - 16-oxasteroid - Phenanthrene - Tetralin - 1-hydroxy-4-unsubstituted benzenoid - 2-furanone - Benzenoid - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton.
External Descriptors	Not available
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

3 D構造

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レビュー

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DMSO（mg / mL）最大溶解度	10
DMSO（mM）最大溶解度	32.0099604753812
分子量	312.400 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	312.173 Da
Monoisotopic Mass	312.173 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	549.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Triptophenolide - 10mM in DMSO , CAS No.74285-86-2

保管・配送

品質書類

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概要

仕様