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4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid, also known as Candoxatril, is a complex organic compound with a unique chemical structure. It is the 2,3-dihydro-1H-inden-5-yl ester of the active enantiomer of candoxatrilat, which is a potent neutral endopeptidase (NEP, neprilysin) inhibitor. 4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid has been developed as an orally active prodrug, designed to improve the bioavailability and efficacy of its active metabolite, candoxatrilat, in the treatment of chronic heart failure.

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  • 4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid

    Cas No: 123122-55-4

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  • 4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid

    Cas No: 123122-55-4

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  • 123122-55-4 Structure
  • Basic information

    1. Product Name: 4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid
    2. Synonyms: 4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid;UK-79300;Candoxatril [usan:inn:ban];cis-4-[[[1-[(2S)-3-[(2,3-Dihydro-1H-inden-5-yl)oxy]-2-[(2-Methoxyethoxy)Methyl]-3-oxopropyl]cyclopentyl]carbonyl]aMino]cyclohexanecarboxylic Acid
    3. CAS NO:123122-55-4
    4. Molecular Formula: C29H41NO7
    5. Molecular Weight: 515.63834
    6. EINECS: N/A
    7. Product Categories: Pharmaceuticals;Aromatics;Chiral Reagents;Inhibitors;Intermediates & Fine Chemicals
    8. Mol File: 123122-55-4.mol
  • Chemical Properties

    1. Melting Point: 107-109°
    2. Boiling Point: 718.4°Cat760mmHg
    3. Flash Point: 388.3°C
    4. Appearance: /
    5. Density: 1.21g/cm3
    6. Refractive Index: 1.565
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid(123122-55-4)
    11. EPA Substance Registry System: 4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid(123122-55-4)
  • 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: 123122-55-4(Hazardous Substances Data)

123122-55-4 Usage

Uses

Used in Pharmaceutical Industry:
4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid is used as a neutral endopeptidase inhibitor for the treatment of congestive heart failure. Its application is based on its ability to inhibit the enzyme neutral endopeptidase, which plays a crucial role in the degradation of natriuretic peptides, such as atrial natriuretic peptide (ANP) and brain natriuretic peptide (BNP). By inhibiting NEP, candoxatril helps to increase the levels of these peptides, leading to improved heart function and reduced symptoms of heart failure.
Additionally, candoxatril has been shown to have potential synergistic effects when combined with other medications used in the treatment of heart failure, such as angiotensin-converting enzyme (ACE) inhibitors and beta-blockers. This combination therapy may provide enhanced benefits for patients suffering from chronic heart failure.

Check Digit Verification of cas no

The CAS Registry Mumber 123122-55-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,3,1,2 and 2 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 123122-55:
(8*1)+(7*2)+(6*3)+(5*1)+(4*2)+(3*2)+(2*5)+(1*5)=74
74 % 10 = 4
So 123122-55-4 is a valid CAS Registry Number.
InChI:InChI=1/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1

123122-55-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name candoxatril

1.2 Other means of identification

Product number -
Other names 4-[[1-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-(2-methoxyethoxymethyl)-3-oxopropyl]cyclopentanecarbonyl]amino]cyclohexane-1-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:123122-55-4 SDS

123122-55-4Upstream product

123122-55-4Downstream Products

123122-55-4Relevant articles and documents

GLUTARAMIDE DIURETIC AGENTS

-

, (2008/06/13)

A series of novel spiro-substituted glutaramide derivatives have been prepared, including the pharmaceutically acceptable salts thereof and bioprecursors therefor, wherein the spiro-substituent completes a 5-or 6-membered carbocycyclic ring and is located at the carbon atom adjacent to the carbamoyl group. These particular compounds are inhibitors of the neutral endopeptidase E.C.3.4.24.11 enzyme and are therefore useful in therapy as diuretic agents for the treatment of hypertension, heart failure, renal insufficiency and other disorders. Methods for preparing these compounds from known starting materials are provided.

Enantiomeric glutaramide diuretic agents

-

, (2008/06/13)

S Enantiomeric diuretic agent of the formula: wherein each R and R4 is H or one of R and R4 is H and the other is a biolabile ester group, a process for their preparation and intermediates therefor.

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