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159878-29-2

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino-4-phenylbutyl]decahydroisoquinoline-3-carboxamide is a complex organic compound that belongs to the class of isoquinoline carboxamides. It features a decahydroisoquinoline ring with a carboxamide group, a tert-butyl group, and a phenyl group as part of its side chains. The molecule also incorporates a hydroxy group, a cysteinyl amino group, and a methylsulfonyl group, which contribute to its potential pharmaceutical properties. Given its structural complexity and the presence of various functional groups, this compound may exhibit multiple biological activities and could be utilized in drug development and medicinal chemistry.

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  • (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-{[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino}-4-phenylbutyl]decahydroisoquinoline-3-carboxamide

    Cas No: 159878-29-2

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  • 159878-29-2 Structure

  • Basic information

    1. Product Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-{[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino}-4-phenylbutyl]decahydroisoquinoline-3-carboxamide
    2. Synonyms: 3-isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-[(methylsulfonyl)amino]-3-(2-naphthalenylthio)-1-oxopropyl]amino]-4-phenylbutyl]-, (3S,4aS,8aS)-
    3. CAS NO:159878-29-2
    4. Molecular Formula: C38H52N4O5S2
    5. Molecular Weight: 708.9733
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 159878-29-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: 1.27g/cm3
    6. Refractive Index: 1.636
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-{[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino}-4-phenylbutyl]decahydroisoquinoline-3-carboxamide(CAS DataBase Reference)
    10. NIST Chemistry Reference: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-{[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino}-4-phenylbutyl]decahydroisoquinoline-3-carboxamide(159878-29-2)
    11. EPA Substance Registry System: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-{[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino}-4-phenylbutyl]decahydroisoquinoline-3-carboxamide(159878-29-2)

  • 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: 159878-29-2(Hazardous Substances Data)

159878-29-2 Usage

Uses

Used in Pharmaceutical Applications:
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino-4-phenylbutyl]decahydroisoquinoline-3-carboxamide is used as a potential pharmaceutical agent due to its complex structure and the presence of functional groups that may interact with specific receptors or enzymes. (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino-4-phenylbutyl]decahydroisoquinoline-3-carboxamide's ability to serve as a ligand could make it a candidate for the treatment of various diseases.
Used in Drug Development:
In the field of drug development, (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino-4-phenylbutyl]decahydroisoquinoline-3-carboxamide may be utilized for the design and synthesis of new drugs targeting specific biological pathways. Its structural features could be exploited to create molecules with enhanced potency, selectivity, and reduced side effects.
Used in Medicinal Chemistry Research:
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino-4-phenylbutyl]decahydroisoquinoline-3-carboxamide can be employed in medicinal chemistry research to study the structure-activity relationships of isoquinoline carboxamides and related compounds. Understanding how its various functional groups contribute to biological activity can guide the development of more effective and safer drugs.
Used in Chemical Synthesis:
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[N-(methylsulfonyl)-S-(naphthalen-2-yl)-D-cysteinyl]amino-4-phenylbutyl]decahydroisoquinoline-3-carboxamide can also be used as a starting material or intermediate in the synthesis of other complex organic molecules, particularly those with potential applications in the pharmaceutical and chemical industries. Its unique structure and functional groups make it a valuable building block for creating novel molecules with specific properties and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 159878-29-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,9,8,7 and 8 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 159878-29:
(8*1)+(7*5)+(6*9)+(5*8)+(4*7)+(3*8)+(2*2)+(1*9)=202
202 % 10 = 2
So 159878-29-2 is a valid CAS Registry Number.

159878-29-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

1.2 Other means of identification

Product number -
Other names -

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:159878-29-2 SDS

159878-29-2Relevant articles and documents

Reduction of peptide character of HIV protease inhibitors that exhibit nanomolar potency against multidrug resistant HIV-1 strains

Tamamura, Hirokazu,Koh, Yasuhiro,Ueda, Satoshi,Sasaki, Yoshikazu,Yamasaki, Tomonori,Aoki, Manabu,Maeda, Kenji,Watai, Yoriko,Arikuni, Hisashi,Otaka, Akira,Mitsuya, Hiroaki,Fujii, Nobutaka

, p. 1764 - 1768 (2007/10/03)

Novel HIV protease inhibitors containing a hydroxyethylamine dipeptide isostere as a transition state-mimic king structure were synthesized by combining substructures of known HIV protease inhibitors. Among them, TYA5 and TYB5 were proven to be not only p

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