Ancymidol - analytical standard , CAS No.12771-68-5

CAS: 12771-68-5 Cat. No.: A114727 分子式: C₁₅H₁₆N₂O₂ 分子量: 256.3 EC番号: 235-814-7

GRADE & PURITY Analytical standard

Synonyms

5-Pyrimidinemethanol, .alpha.-cyclopropyl-.alpha.-(4-methoxyphenyl)- | NCGC00164381-01 | A-Cyclopropyl-A(P-methoxyphenyl)-5-pyrimidine methanol | DNDI1255615 | A805739 | BDBM50024514 | EL-531;REDUCYMOL;THRITONE | EPA Pesticide Chemical Code 108601 | FT-06

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Ancymidol is a pyrimidine-class plant cell endocrine disruptor plant growth regulator that interferes with gibberellin and cellulose biosynthesis.

Specifications

同義語

5-Pyrimidinemethanol, .alpha.-cyclopropyl-.alpha.-(4-methoxyphenyl)- | NCGC00164381-01 | A-Cyclopropyl-A(P-methoxyphenyl)-5-pyrimidine methanol | DNDI1255615 | A805739 | BDBM50024514 | EL-531;REDUCYMOL;THRITONE | EPA Pesticide Chemical Code 108601 | FT-06

仕様と純度

analytical standard

保管条件

Store at 2-8°C

入荷

Wet ice

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

分析用標準物質

名前と識別子

パブケム・シド

528770959

カノニカル・スマイル

COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O

IUPAC Name

cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol

InChIKey

HUTDUHSNJYTCAR-UHFFFAOYSA-N

INCHI

1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3

異性体SMILES

COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O

WGKドイツ

3

RTECS

UV9280000

分子量

256.3

Reaxy-Rn

6212277

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6212277&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Tertiary alcohol - Ether - Azacycle - Organoheterocyclic compound - Alcohol - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• External Descriptors: a small molecule

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）

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

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）

Trypanosoma cruzi (99888 Activities)

Explore this target

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

• 分子量: 256.300 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 256.121 Da
• Monoisotopic Mass: 256.121 Da
• Topological Polar Surface Area: 55.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 295.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1