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1771-31-9

The chemical compound "(4aS,5aS,6S,12aS)-4-Amino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide" is a complex organic molecule with a highly specific stereochemistry. It features a naphthacene core, which is a type of polycyclic aromatic hydrocarbon, with a carboxylic acid group at the 2-position and an amide group attached to it. The molecule also contains five hydroxyl groups at positions 3, 6, 10, 12, and 12a, and a methyl group at position 6. The presence of the amino group at the 4-position and the two oxygen atoms at positions 1 and 11, which form part of the dioxo group, contribute to the molecule's reactivity and potential biological activity. (4aS,5aS,6S,12aS)-4-Amino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide is characterized by its unique spatial arrangement of atoms, with the 'S' configuration at the 4a, 5a, 6, and 12a positions, which is crucial for its potential interactions with biological targets.

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  • (4aS,5aS,6S,12aS)-4-Amino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide

    Cas No: 1771-31-9

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  • 1771-31-9 Structure

  • Basic information

    1. Product Name: (4aS,5aS,6S,12aS)-4-Amino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide
    2. Synonyms:
    3. CAS NO:1771-31-9
    4. Molecular Formula:
    5. Molecular Weight: 416.387
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1771-31-9.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (4aS,5aS,6S,12aS)-4-Amino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide(CAS DataBase Reference)
    10. NIST Chemistry Reference: (4aS,5aS,6S,12aS)-4-Amino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide(1771-31-9)
    11. EPA Substance Registry System: (4aS,5aS,6S,12aS)-4-Amino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide(1771-31-9)

  • 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: 1771-31-9(Hazardous Substances Data)

1771-31-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1771-31-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,7,7 and 1 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1771-31:
(6*1)+(5*7)+(4*7)+(3*1)+(2*3)+(1*1)=79
79 % 10 = 9
So 1771-31-9 is a valid CAS Registry Number.

1771-31-9Upstream product

1771-31-9Downstream Products

1771-31-9Relevant articles and documents

Hydrothermal synthesis of novel flower-like BiVO4/Bi2Ti2O7 with superior photocatalytic activity toward tetracycline removal

Jinhai, Li,Han, Mengshu,Guo, Yang,Wang, Fei,Meng, Lingjun,Mao, Danjun,Ding, Shanshan,Sun, Cheng

, p. 105 - 114 (2016)

A novel flower-like BiVO4 and BiVO4/Bi2Ti2O7 heterojunction photocatalyst was firstly synthesized by surfactant-free hydrothermal route, which is very convenient, rapid, controllable and environmentally friendly. The crystal structures, chemical composition, morphology, optical and photo-catalytic property of the as-prepared samples were characterized by the techniques of XRD, XPS, SEM, HRTEM, BET, UV–vis DRS, and PL. The BiVO4/Bi2Ti2O7 heterojunction photocatalyst exhibited higher photocatalytic activity than pure BiVO4 and Bi2Ti2O7 for the degradation of tetracycline (TC) under xenon lamp irradiation. The enhanced photocatalytic activities of BiVO4/Bi2Ti2O7 composites were either related to the particular structural features or the mass ratios of BiVO4 and Bi2Ti2O7 in the composites. The possible photocatalytic mechanism of the BiVO4/Bi2Ti2O7 composite has been speculated by detecting reactive species based on free radicals trapping experiments. The preliminary removal pathways of tetracycline was proposed on the basis of the identified intermediates using LC-TOF/MS.

Method for preparing deuterated internal standard substances of tetracyclines and epimers thereof

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Paragraph 0031-0033, (2019/04/17)

The invention discloses a method for preparing deuterated internal standard substances of tetracyclines and epimers thereof. According to the method, a demethylated primary amine intermediate is obtained through three-step reaction including cyclization, ring-opening reaction and reduction reaction, and deuterated paraformaldehyde is subjected to reductive amination to obtain a deuterated internalstandard reagent of tetracyclines finally. Compared with a traditional method for preparing stable isotope labeled tetracycline internal standard reagents through fermentation or total synthesis, themethod has advantages of short steps, simplicity and convenience in operation, high yield, low cost, high quality and the like. In addition, product purity and the atom deuterated ratio are both 98%or above.

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