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(S)-Methyl2-amino-3-(4-iodophenyl)propanoate is an organic compound that belongs to the class of phenylpropanes, characterized by the presence of a phenylpropane moiety. The "(S)" in its name indicates the chirality of the carbon atom, which means it has a specific arrangement of its atoms in space. (S)-Methyl2-amino-3-(4-iodophenyl)propanoate features an iodine atom attached to a phenyl ring, a methyl ester group, and an amino group. However, information on its physical properties, uses, and toxicity is limited, suggesting it may not be a widely studied or utilized chemical.

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  • 113850-77-4 Structure
  • Basic information

    1. Product Name: (S)-Methyl2-amino-3-(4-iodophenyl)propanoate
    2. Synonyms: (S)-Methyl2-amino-3-(4-iodophenyl)propanoate;Methyl (2S)-2-amino-3-(4-iodophenyl)propanoate hydrochloride
    3. CAS NO:113850-77-4
    4. Molecular Formula: C10H12INO2
    5. Molecular Weight: 305.11225
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 113850-77-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (S)-Methyl2-amino-3-(4-iodophenyl)propanoate(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-Methyl2-amino-3-(4-iodophenyl)propanoate(113850-77-4)
    11. EPA Substance Registry System: (S)-Methyl2-amino-3-(4-iodophenyl)propanoate(113850-77-4)
  • 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: 113850-77-4(Hazardous Substances Data)

113850-77-4 Usage

Uses

Due to the limited information available on (S)-Methyl2-amino-3-(4-iodophenyl)propanoate, its specific applications are not well-documented. However, given its chemical structure and the properties of similar compounds, it can be hypothesized that it may have potential uses in various industries, such as:
Used in Pharmaceutical Industry:
(S)-Methyl2-amino-3-(4-iodophenyl)propanoate could be used as an intermediate in the synthesis of pharmaceutical compounds, given its unique structure and functional groups. The presence of an iodine atom, a methyl ester group, and an amino group may allow for further chemical reactions and modifications to create new drug candidates.
Used in Chemical Research:
As a member of the phenylpropane class, (S)-Methyl2-amino-3-(4-iodophenyl)propanoate may be utilized in chemical research to study the properties and reactivity of this class of compounds. Its chirality and the presence of various functional groups could make it an interesting subject for investigations into stereochemistry and asymmetric synthesis.
Used in Material Science:
The unique structure of (S)-Methyl2-amino-3-(4-iodophenyl)propanoate may also find applications in material science, where it could be used to develop new materials with specific properties. For example, its iodine atom and phenyl ring could contribute to the compound's electronic or optical properties, making it suitable for use in organic electronic devices or sensors.

Check Digit Verification of cas no

The CAS Registry Mumber 113850-77-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,8,5 and 0 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 113850-77:
(8*1)+(7*1)+(6*3)+(5*8)+(4*5)+(3*0)+(2*7)+(1*7)=114
114 % 10 = 4
So 113850-77-4 is a valid CAS Registry Number.

113850-77-4Relevant articles and documents

Identification of inhibitors of UDP-galactopyranose mutaseviacombinatorialin situscreening

Fu, Jian,Fu, Huixiao,Xia, Yufen,N'Go, Inès,Cao, Jun,Pan, Weidong,Vincent, Stéphane P.

, p. 1818 - 1826 (2021)

Anin situscreening assay for UDP-galactopyranose mutase (UGM, an essential enzyme ofM. tuberculosiscell wall biosynthesis) has been developed to discover novel UGM inhibitors. The approach is based on the amide-forming reaction of an amino acid core with various cinnamic acids, followed by a direct fluorescence polarization assay to identify the best UGM binders without isolation and purification of the screened ligands. This assay allows us to perform one-pot high-throughput synthesis and screening of enzyme inhibitors in a 384-well plate format. UGM ligands were successfully identified by this technology and their inhibition levels were established from pure synthetic compoundsin vitroand in a whole cell antibacterial assay. This study provides a blueprint for designing enamide structures as new UGM inhibitors and anti-mycobacterial agents.

Iodination of aromatic residues in peptides by reaction with IPy2BF4

Barluenga, Jose,Garcia-Martin, Miguel A.,Gonzalez, Jose M.,Clapes, Pere,Valencia, Gregorio

, p. 1505 - 1506 (1996)

A simple and straightforward approach to selectively iodinate Tyr residues on peptides using IPy2BF4 is described which is compatible with Met residues on the side chain; preliminary studies reveal that the method is also suitable to

X???X Halogen Bond-Induced Supramolecular Helices

Hao, Aiyou,Xing, Pengyao,Xu, Yunying

supporting information, (2021/11/30)

The halogen bond is the attractive interaction between the electrophilic region of a halogen atom and the nucleophilic region of another molecular entity, emerging as a favorable manner to manipulate supramolecular chirality in self-assemblies. Engineerin

Specific Inhibitor of Placental Alkaline Phosphatase Isolated from a DNA-Encoded Chemical Library Targets Tumor of the Female Reproductive Tract

Bassi, Gabriele,Cazzamalli, Samuele,Favalli, Nicholas,Manz, Markus G.,Neri, Dario,Onda, Yuichi,Pellegrino, Christian,Scheuermann, J?rg

supporting information, p. 15799 - 15809 (2021/11/16)

Placental alkaline phosphatase (PLAP) is an abundant surface antigen in the malignancies of the female reproductive tract. Nevertheless, the discovery of PLAP-specific small organic ligands for targeting applications has been hindered by ligand cross-reac

Electron-deficient p-benzoyl-l-phenylalanine derivatives increase covalent chemical capture yields for protein–protein interactions

Joiner, Cassandra M.,Breen, Meghan E.,Mapp, Anna K.

, p. 1163 - 1170 (2019/05/10)

The photoactivatable amino acid p-benzoyl-l-phenylalanine (pBpa) has been used for the covalent capture of protein–protein interactions (PPIs) in vitro and in living cells. However, this technique often suffers from poor photocrosslinking yields due to th

PENTAFLUOROPHOSPHATE DERIVATIVE, ITS USES AND AN APPROPRIATE MANUFACTURING METHOD

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Page/Page column 12, (2019/04/05)

The invention relates to a pentafluorophosphate derivative according to general formula (I): or a pharmaceutically acceptable salt or solvate thereof. Thereby, R1 and R2 denote independently from each other H or F; R3 denotes H, an optionally substituted C1-C10 alkyl, an optionally substituted C3-C10 cycloalkyl, or an optionally substituted C6-C20 aryl, wherein a hydrocarbon chain of the alkyl, the cycloalkyl or the aryl can be interrupted by one or more oxygen, sulfur and/or nitrogen atoms; and M denotes any cation; with the proviso that at least one of R1 and R2 denotes F, if R3 denotes H. The invention further relates to uses of such a pentafluorophosphate derivative and to an appropriate manufacturing method.

A Bifunctional Amino Acid Enables Both Covalent Chemical Capture and Isolation of in Vivo Protein–Protein Interactions

Joiner, Cassandra M.,Breen, Meghan E.,Clayton, James,Mapp, Anna K.

, p. 181 - 184 (2017/02/05)

In vivo covalent chemical capture by using photoactivatable unnatural amino acids (UAAs) is a powerful tool for the identification of transient protein–protein interactions (PPIs) in their native environment. However, the isolation and characterization of

A palladium and gold catalytic system enables direct access to O- and S-linked non-natural glyco-conjugates

Jeon, Min Ho,Mathew, Bijoy P.,Kuram, Malleswara Rao,Myung, Kyungjae,Hong, Sung You

supporting information, p. 11518 - 11524 (2016/12/18)

Here we report a straightforward cross-coupling method for the synthesis of non-natural glycoamino acids from alkyne-bearing monosaccharides and p-iodophenylalanine. Pd/Au-catalyzed Sonogashira coupling is tolerant to both O- and S-glycosides without any epimerization. In addition, no racemization of the amino acid was observed allowing direct access to the homogeneous glyco-conjugate in a single step. Notably, this Pd/Au catalytic system presents enhanced catalytic activity than conventional Pd/Cu and Pd-only platforms, and it further enables the convergent synthesis of glycodipeptides.

PROCESSES AND REAGENTS FOR MAKING DIARYLIODONIUM SALTS

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Paragraph 0433, (2014/05/08)

This disclosure relates to processes and reagents for making diaryliodonium salts, which are useful for the preparation of fluorinated, iodinated, astatinated and radiofluorinated aromatic compounds.

Effect of the 4′-substituted phenylalanine moiety of sansalvamide A peptide on antitumor activity

Liu, Shouxin,Yang, Yihua,Zhao, Cuiran,Huang, Jing,Han, Chunyu,Han, Jianrong

, p. 463 - 467 (2014/04/17)

Eight sansalvamide A peptide analogues with 4′-fluoride, 4′-chloride, 4′-bromide, 4′-iodide, and 4′- methoxyphenylalanine moieties were synthesized. The effect of these para-substitutions of sansalvamide A peptide on their cytotoxicity was evaluated using HCT-116, MDA-MB-231, HT-29, HCT-15, K562, HeLa, and A549 cell lines. The 4′-methoxyphenylalanine analog of sansalvamide A peptide was found to be a promising antitumor agent.

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