Altrenogest - ≥99% , CAS No.850-52-2

CAS: 850-52-2 Cat. No.: A129420 分子式: C₂₁H₂₆O₂ 分子量: 310.43 EC番号: 212-703-1

グレード＆純度 ≥99%

Synonyms

9-Fluoro-16-hydroxyhydrocortisone | Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-(2-propenyl)- | IDI1_007563 | NCGC00183119-01 | BCP13100 | DTXCID6028789 | 17alpha-ALLYL-ESTRA-4,9,11-TRIENE-17beta-OL-3-ONE | Allyltrenbolone;RU2267 | Altrenogest | Allyl tre

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

仕様

同義語

9-Fluoro-16-hydroxyhydrocortisone | Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-(2-propenyl)- | IDI1_007563 | NCGC00183119-01 | BCP13100 | DTXCID6028789 | 17alpha-ALLYL-ESTRA-4,9,11-TRIENE-17beta-OL-3-ONE | Allyltrenbolone;RU2267 | Altrenogest | Allyl tre

仕様と純度

≥99%

生化学的・生理学的メカニズム

Altrenogest(A35957; RU2267) is a progestogen structurally related to veterinary steroid trenbolone.

保管条件

Store at -20°C

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。

アクションタイプ

AGONIST

純度

≥99%

名前と識別子

パブケム・シド

488196509

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488196509

カノニカル・スマイル

CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(CC=C)O

IUPAC Name

(8S,13S,14S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

InChIKey

VWAUPFMBXBWEQY-ANULTFPQSA-N

INCHI

1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1

異性体SMILES

C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC=C)O

分子量

310.43

Reaxy-Rn

37845777

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37845777&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Steroids and steroid derivatives
• Subclass: Estrane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Estrogens and derivatives
• Alternative Parents: 3-oxosteroids 17-hydroxysteroids Cyclohexenones Tertiary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Estrogen-skeleton - 3-oxosteroid - Hydroxysteroid - 17-hydroxysteroid - Oxosteroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - Cyclic ketone - Ketone - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
• 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

関連ターゲット（人間）

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

関連ターゲット（非人間）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO 62 mg/mL Water <1 mg/mL Ethanol 2 mg/mL
• 感度: heat sensitive
• 分子量: 310.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 310.193 Da
• Monoisotopic Mass: 310.193 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 665.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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