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[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is a complex organic molecule with a piperidine ring and multiple functional groups, including an amine group, a phenyl group, a propyl group, a dimethoxyphenyl group, and a carboxylate group. The stereochemistry of the molecule is defined by the (1R)and (2S)prefixes, which denote the orientations of the chiral centers. [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate may possess pharmacological or biological activity, but further research is required to establish its specific properties and potential applications.

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  • 195513-96-3 Structure
  • Basic information

    1. Product Name: [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
    2. Synonyms: 195513-96-3;SLF;SLF Exclusive;CHEMBL2059026;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;SCHEMBL16683566;HMS3650M15;BDBM50388311;AKOS040740911;MS-29717;HY-114872;CS-0064537;SR-01000946810;SR-01000946810-1;(R)-1-(3-Aminophenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;(R)-1-(3-Aminophenyl)-3-(3,4-dimethoxyphenyl)propyl(S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
    3. CAS NO:195513-96-3
    4. Molecular Formula:
    5. Molecular Weight: 524.657
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 195513-96-3.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: [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate(CAS DataBase Reference)
    10. NIST Chemistry Reference: [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate(195513-96-3)
    11. EPA Substance Registry System: [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate(195513-96-3)
  • 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: 195513-96-3(Hazardous Substances Data)

195513-96-3 Usage

Uses

1. Used in Pharmaceutical Industry:
[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is used as a potential pharmaceutical compound for its possible pharmacological or biological activity. [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate's unique structure and functional groups may allow it to interact with biological targets, making it a candidate for drug development.
2. Used in Chemical Research:
In the field of chemical research, [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate can be utilized as a subject for studying the effects of stereochemistry on molecular properties and reactivity. Its complex structure may provide insights into the design of new molecules with specific functions.
3. Used in Material Science:
[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate may also find applications in material science, where its unique structural features could be exploited to create new materials with tailored properties. For instance, its potential interactions with other molecules could be harnessed for the development of advanced materials with specific applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 195513-96-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,5,5,1 and 3 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 195513-96:
(8*1)+(7*9)+(6*5)+(5*5)+(4*1)+(3*3)+(2*9)+(1*6)=163
163 % 10 = 3
So 195513-96-3 is a valid CAS Registry Number.

195513-96-3Relevant articles and documents

Targeted Covalent Inhibition of Plasmodium FK506 Binding Protein 35

Atack, Thomas C.,Raymond, Donald D.,Blomquist, Christa A.,Pasaje, Charisse Flerida,McCarren, Patrick R.,Moroco, Jamie,Befekadu, Henock B.,Robinson, Foxy P.,Pal, Debjani,Esherick, Lisl Y.,Ianari, Alessandra,Niles, Jacquin C.,Sellers, William R.

, p. 2131 - 2138 (2020/12/17)

FK506-binding protein 35, FKBP35, has been implicated as an essential malarial enzyme. Rapamycin and FK506 exhibit antiplasmodium activity in cultured parasites. However, due to the highly conserved nature of the binding pockets of FKBPs and the immunosuppressive properties of these drugs, there is a need for compounds that selectively inhibit FKBP35 and lack the undesired side effects. In contrast to human FKBPs, FKBP35 contains a cysteine, C106, adjacent to the rapamycin binding pocket, providing an opportunity to develop targeted covalent inhibitors of Plasmodium FKBP35. Here, we synthesize inhibitors of FKBP35, show that they directly bind FKBP35 in a model cellular setting, selectively covalently modify C106, and exhibit antiplasmodium activity in blood-stage cultured parasites.

Synthesis and activity of bivalent FKBP12 ligands for the regulated dimerization of proteins

Keenan, Terence,Yaeger, David R.,Courage, Nancy L.,Rollins, Carl T.,Pavone, Mary Ellen,Rivera, Victor M.,Yang, Wu,Guo, Tao,Amara, Jane F.,Clackson, Tim,Gilman, Michael,Holt, Dennis A.

, p. 1309 - 1335 (2007/10/03)

The total synthesis and in vitro activities of a series of chemical inducers of dimerization (CIDs) is described. The use of small-molecule CIDs to control the dimerization of engineered FKBP12-containing fusion proteins has been demonstrated to have broad utility in biological research as well as potential medical applications in gene and cell therapies. The facility and flexibility of preparation make this new class of wholly synthetic compounds exceptionally versatile tools for the study of intracellular signaling events mediated by protein-protein interactions or protein localization. While some congeners possess potency comparable to or better than the first generation natural product-derived CID, FK1012, structure-activity relationships are complex and underscore the need for application-specific compound optimizations. Copyright (C) 1998 Elsevier Science Ltd.

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