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Isowillardiine is a simple alkaloid that can be isolated from germinating pea seeds and seedlings. Its structure has been determined through the analysis of infrared, NMR, and mass spectra, which provide valuable information about its molecular composition and properties.

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  • 21381-33-9 Structure
  • Basic information

    1. Product Name: isowillardiine
    2. Synonyms: isowillardiine;(αS)-α-Amino-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinepropanoic acid;β-(Uracil-3-yl)alanine
    3. CAS NO:21381-33-9
    4. Molecular Formula: C7H9N3O4
    5. Molecular Weight: 199.16406
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 21381-33-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: °Cat760mmHg
    3. Flash Point: °C
    4. Appearance: /
    5. Density: 1.501g/cm3
    6. Refractive Index: 1.581
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: isowillardiine(CAS DataBase Reference)
    10. NIST Chemistry Reference: isowillardiine(21381-33-9)
    11. EPA Substance Registry System: isowillardiine(21381-33-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 21381-33-9(Hazardous Substances Data)

21381-33-9 Usage

Uses

Used in Pharmaceutical Industry:
Isowillardiine is used as a pharmaceutical compound for its potential therapeutic applications. The expression is: isowillardiine is used as a therapeutic agent for its alkaloid properties, which may have various biological activities.
Used in Agricultural Industry:
In the agricultural industry, isowillardiine can be used as a natural pesticide or growth regulator due to its alkaloid nature. The expression is: isowillardiine is used as a natural pesticide/growth regulator for its potential effects on pests or plant growth.
Used in Chemical Research:
Isowillardiine can also be utilized in chemical research as a model compound for studying the properties and reactions of alkaloids. The expression is: isowillardiine is used as a research compound for understanding the chemical behavior of alkaloids and their potential applications in various fields.

References

Ashworth, Brown, Roberts., Biochem J., 129,897 (1972)

Check Digit Verification of cas no

The CAS Registry Mumber 21381-33-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,3,8 and 1 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 21381-33:
(7*2)+(6*1)+(5*3)+(4*8)+(3*1)+(2*3)+(1*3)=79
79 % 10 = 9
So 21381-33-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13)/t4-/m0/s1

21381-33-9Downstream Products

21381-33-9Relevant articles and documents

BIOSYNTHESIS OF β-(1,2,4-TRIAZOL-1-YL)ALANINE IN HIGHER PLANTS

Ikegami, Fumio,Komada, Yumiko,Kobori, Masuko,Hawkins, Douglas R.,Murakoshi, Isamu

, p. 2507 - 2508 (2007/10/02)

β-(1,2,4-triazol-1-yl)Alanine, an important metabolite of the triazole-based fungicide Myclobutanil, was shown to be derived from O-acetyl-L-serine and 1,2,4-triazole by cysteine synthase in higher plants.Some properties of this enzyme in the biosynthesis of β-(1,2,4-triazol-1-yl)alanine are described.

Biomimetic Synyhesis of Heterocyclic β-Substituted Alanines by Pyridoxal 5'-Phosphate-Catalyzed Chemical Reactions

Murakoshi, Isamu,Ikegami, Fumio,Yoneda, Yoshihiro,Ihara, Harumi,Sakata, Kumiko,Koide, Chiharu

, p. 1473 - 1478 (2007/10/02)

Several heterocyclic β-substituted alanines were biomimetically synthesized by incubating 0.1M acetate buffer solution containing the appropriate heterocyclic compound and O-acetylserine or serine in the presence of pyridoxal 5'-phosphate (PLP) and metal ions.This PLP-catalyzed chemical reaction depends upon pH, metal ions and temperature.The addition of Ga3+, Fe3+ or Al3+ enhanced the rate of synthesis.The optimum of the various reaction conditions of this biomimetic method is described.Keywords - biomymetic synthesis; amino acid synthesis; heterocyclic β-substituted alanine; non-protein amino acid; O-acetylserine; N-heterocyclic compound; pyridoxal 5'-phosphate; metal ion

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