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N-(Methoxycarbonyl)-L-valyl]-L-proline, a synthetic analog of the bacterial cell wall precursor Lipid II, is a chemical compound belonging to the class of organic compounds known as proline and derivatives. It has been studied for its potential therapeutic applications in various fields, including bacterial infections, cancer treatment, and immune modulation.

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  • (2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

    Cas No: 181827-47-4

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  • 181827-47-4 Structure
  • Basic information

    1. Product Name: N-(METHOXYCARBONYL)-L-VALYL]-L-PROLINE
    2. Synonyms: N-(METHOXYCARBONYL)-L-VALYL]-L-PROLINE;L-Proline,N-(methoxycarbonyl)-L-valyl;(S)-1-((S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)pyrrolidine-2-carboxylic acid;(S)-1-((S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)pyrrolidine-2-carboxylic acid(WXG02736)
    3. CAS NO:181827-47-4
    4. Molecular Formula: C12H20N2O5
    5. Molecular Weight: 272.2976
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 181827-47-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 490.5±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.244±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 3.60±0.20(Predicted)
    10. CAS DataBase Reference: N-(METHOXYCARBONYL)-L-VALYL]-L-PROLINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: N-(METHOXYCARBONYL)-L-VALYL]-L-PROLINE(181827-47-4)
    12. EPA Substance Registry System: N-(METHOXYCARBONYL)-L-VALYL]-L-PROLINE(181827-47-4)
  • 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: 181827-47-4(Hazardous Substances Data)

181827-47-4 Usage

Uses

Used in Pharmaceutical Industry:
N-(Methoxycarbonyl)-L-valyl]-L-proline is used as a potential therapeutic target for drug development against bacterial infections. Its ability to mimic the bacterial cell wall precursor Lipid II makes it a promising candidate for the development of new antibiotics.
Used in Cancer Treatment:
N-(Methoxycarbonyl)-L-valyl]-L-proline is used as an anticancer agent for its potential to inhibit the growth of cancer cells by disrupting the microtubule network. This property makes it a valuable compound for the development of novel cancer therapies.
Used in Anti-inflammatory Applications:
N-(Methoxycarbonyl)-L-valyl]-L-proline is used as an anti-inflammatory agent due to its potential to modulate the immune response. Its ability to reduce inflammation and alleviate symptoms associated with inflammatory conditions makes it a promising candidate for the development of new anti-inflammatory drugs.
Used in Immune Modulation:
N-(Methoxycarbonyl)-L-valyl]-L-proline is used as an immune modulator for its potential to influence the immune system. Its ability to regulate immune responses can be harnessed for the development of treatments targeting autoimmune diseases and other conditions where immune system dysregulation is a factor.

Check Digit Verification of cas no

The CAS Registry Mumber 181827-47-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,1,8,2 and 7 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 181827-47:
(8*1)+(7*8)+(6*1)+(5*8)+(4*2)+(3*7)+(2*4)+(1*7)=154
154 % 10 = 4
So 181827-47-4 is a valid CAS Registry Number.

181827-47-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names (S)-1-((S)-2-methoxy-carbonylamino-3-methyl-butyryl)-pyrrolidine-2-carboxylic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:181827-47-4 SDS

181827-47-4Relevant articles and documents

5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS

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Paragraph 0234; 0235; 0236; 0237; 0238; 0239, (2018/08/20)

Provided herein are 5,5-fused heteroarylene hepatitis C virus inhibitor compounds, for example, of Formula I, IA, or IB, pharmaceutical compositions comprising the compounds, and processes of preparation thereof. Also provided are methods of their use for the treatment of an HCV infection in a host in need thereof.

Daclatasvir intermediate and preparation method thereof

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Paragraph 0032; 0069; 0070; 0105; 0106; 0117; 0118, (2017/10/23)

The invention discloses a daclatasvir intermediate and a preparation method thereof. The preparation method comprises the following steps: in a solvent, under the effect of an organic alkaline, performing an esterification reaction on a compound shown as a formula D8 and a compound shown as a formula B2, so as to prepare a compound shown as a formula D10, wherein the esterification reaction is shown in the description, and the temperature of the esterification reaction is 20 DEG C-60 DEG C. When used to prepare daclatasvir, the daclatasvir intermediate has the characteristics of low cost, high yield, friendliness to environment, simple steps, mild reaction conditions and applicability to industrialized production. The preparation method for the daclatasvir intermediate is low in cost, high in yield, friendly to environment, simple in steps, mild in reaction conditions and suitable for industrialized production.

Preparation method for daclatasvir

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Paragraph 0080; 0081; 0116; 0117; 0128; 0129, (2017/10/22)

The invention discloses a preparation method for daclatasvir. The preparation method comprises the following steps: in a solvent, performing a cyclization reaction on a compound shown as a formula D10 and ammonium acetate, so as to prepare the daclatasvir shown as a formula I, wherein the cyclization reaction is shown in the description. The preparation method for daclatasvir is low in cost, high in yield, friendly to environment, simple in steps, mild in reaction conditions and suitable for industrialized production.

Novel synthesis method of Daclatasvir

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Paragraph 0081; 0084, (2017/04/13)

The invention relates to a novel synthesis method of Daclatasvir, particularly discloses an intermediate for preparing Daclatasvir and a preparation method of the intermediate, and provides a preparation method of Daclatasvir. The method is more economical and more efficient.

Novel method for synthesizing dimethyl dicarbamate dihydrochloride compound

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Paragraph 0035; 0036; 0037; 0038; 0039, (2016/10/10)

The invention relates to a novel method for synthesizing N,N'[[1,1'-biphenyl]4, 4'-diyl bis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-ethylmethyl)-2-oxo-2,1-ethanediyl]]] dimethyl dicarbamate dihydrochloride. According to the novel method d

ANTI-VIRAL COMPOUND

-

, (2015/11/27)

The present invention features crystalline forms of Compound I.

ANTI-VIRAL COMPOUNDS

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, (2012/06/30)

Compounds effective in inhibiting replication of Hepatitis C virus ("HCV") are described. This invention also relates to processes of making such compounds, compositions comprising such compounds, and methods of using such compounds to treat HCV infection.

NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION

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Page/Page column 238, (2011/07/06)

The embodiments provide compounds of the general Formulae I, II, III, IV, or V as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

CHEMICAL COMPOUNDS

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, (2011/08/08)

Disclosed are compounds of Formula II. Also disclosed are salts of the compounds, pharmaceutical compositions comprising the compounds or salts, and methods for treating HCV infection by administration of the compounds or salts.

CHEMICAL COMPOUNDS

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Page/Page column 48, (2011/04/14)

Disclosed are compounds of Formula III. Also disclosed are salts of the compounds, pharmaceutical composition comprising the compounds or salts, and methods for treating HCV infection by administration of the compounds or salts.

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