Pregnanediol 3-glucuronide - Moligand™, ≥98% , CAS No.1852-49-9

CAS: 1852-49-9 Cat. No.: P1438257 分子式: C₂₇H₄₄O₈ 分子量: 496.63 PubChem CID: 123796

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-BETA-PREGNAN-3-ALPHA,20-ALPHA-DIOL3-GLUCOSIDURONATE | 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE3-GLUCURONIDE | 5B-pregnane-3A-20A-diolglucuronide*crystalline | 3α,20α-Dihydroxy-5β-pregnane3-glucuronide | 5β-Pregnane-3α,20α-diolglucuronide | (2S,3S,4S,5R,6

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Pregnanediol 3-glucuronide is the main terminal metabolite of Progesterone. Pregnanediol 3-glucuronide is the metabolite of Progesterone produced in the liver through hydroxylation and glucuronidation, with high hydrophilicity and easy excretion through urine. A decrease in the level of Pregnanediol 3-glucuronide is associated with an increased risk of thyroid cancer, while an increase is associated with the state of pregnancy. Pregnanediol 3-glucuronide is of great significance in the monitoring of female reproductive health, pregnancy assessment, and the diagnosis of endocrine diseases.

Specifications

同義語

5-BETA-PREGNAN-3-ALPHA,20-ALPHA-DIOL3-GLUCOSIDURONATE | 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE3-GLUCURONIDE | 5B-pregnane-3A-20A-diolglucuronide*crystalline | 3α,20α-Dihydroxy-5β-pregnane3-glucuronide | 5β-Pregnane-3α,20α-diolglucuronide | (2S,3S,4S,5R,6

仕様と純度

Moligand™, ≥98%

保管条件

Protected from light,Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C)O
• IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
• InChIKey: ZFFFJLDTCLJDHL-JQYCEVDMSA-N
• INCHI: 1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/t13-,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1
• 異性体SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O
• WGKドイツ: 3
• PubChem CID: 123796
• 分子量: 496.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Steroids and steroid derivatives
      • Subclass Steroidal glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid glucuronide conjugates
• Alternative Parents: Pregnane steroids Hydroxysteroids O-glucuronides O-glycosyl compounds Beta hydroxy acids and derivatives Pyrans Monosaccharides Oxanes Secondary alcohols Polyols Monocarboxylic acids and derivatives Acetals Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steroid-glucuronide-skeleton - 20-hydroxysteroid - Pregnane-skeleton - Hydroxysteroid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Pyran - Oxane - Hydroxy acid - Monosaccharide - Secondary alcohol - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 感度: Light sensitive