Tetrahydrocortisol - ≥97% , CAS No.53-02-1

CAS: 53-02-1 Cat. No.: T332821 Fórmula: C₂₁H₃₄O₅ Peso molecular: 366.49 PubChem CID: 5864

GRADE & PURITY ≥97%

Synonyms

5.BETA.-PREGNANE-3.ALPHA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE | NSC 57431 | Tetrahydro F | 3.ALPHA.,11.BETA.,17.ALPHA.,21-TETRAHYDROXY-5.BETA.-PREGNAN-20-ONE | 3,11,17,21-Tetrahydroxypregnan-20-one, (3.alpha.,11.beta.)- | UNII-7P2O6MFN8O | 3.alpha.,11.bet

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Product Describtion:

Tetrahydrocortisol is a steroid and metabolite of cortisol. Tetrahydrocortisol is naturally produced by lymhocytes. Tetrahydrocortisol can be found at increased concentrations in patients with cancer.

Product Application:

Tetrahydrocortisol is excreted in large amounts in premenopausal patients with early breast cancer. Tetrahydrocortisol has been found to be produced by lymphocytes in both normal and cancer bearing patients however, the concentration of Tetrahydrocortisol has increased in patients with cancer.

Specifications

Sinónimos

5.BETA.-PREGNANE-3.ALPHA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE | NSC 57431 | Tetrahydro F | 3.ALPHA.,11.BETA.,17.ALPHA.,21-TETRAHYDROXY-5.BETA.-PREGNAN-20-ONE | 3,11,17,21-Tetrahydroxypregnan-20-one, (3.alpha.,11.beta.)- | UNII-7P2O6MFN8O | 3.alpha.,11.bet

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528771072

Sorrisos canónicos

CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)O

IUPAC Name

2-hydroxy-1-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

InChIKey

AODPIQQILQLWGS-GXBDJPPSSA-N

INCHI

1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1

SMILES isoméricas

C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O

PubChem CID

5864

Peso molecular

366.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Hydroxysteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Hydroxysteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 21-hydroxysteroids
• Alternative Parents: Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-alpha-hydroxysteroids 17-hydroxysteroids 11-beta-hydroxysteroids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 21-hydroxysteroid - 20-oxosteroid - Pregnane-skeleton - 3-hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 3-alpha-hydroxysteroid - 17-hydroxysteroid - Tertiary alcohol - Alpha-hydroxy ketone - Cyclic alcohol - Ketone - Secondary alcohol - Polyol - Primary alcohol - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
• External Descriptors: C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives

Data sources

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

Alvos associados (humanos)

UGT2B7 Tchem UDP-glucuronosyltransferase 2B7 (787 Activities)

Discover Target: UGT2B7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT2B4 Tbio UDP-glucuronosyltransferase 2B4 (139 Activities)

Discover Target: UGT2B4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Chloroform: 10 mg/ml; Methanol: soluble
• Sensibilidade: Hygroscopic
• Ponto de fusão (°C): 200-203° C
• Peso molecular: 366.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 366.241 Da
• Monoisotopic Mass: 366.241 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 593.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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