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(S)-Methyl 2-aMino-3-(6-Methoxy-1H-indol-3-yl)propanoate is a chiral tryptophan derivative featuring a methyl ester of propanoic acid with an amino group on the second carbon and an indole group on the third carbon. The (S)prefix denotes its specific spatial arrangement of atoms, which may influence its interactions with biological targets. The presence of the indole group and the methoxy substituent suggests potential pharmacological properties, making it a compound of interest for research and pharmaceutical applications.

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  • 107447-04-1 Structure
  • Basic information

    1. Product Name: (S)-Methyl 2-aMino-3-(6-Methoxy-1H-indol-3-yl)propanoate
    2. Synonyms: (S)-Methyl 2-aMino-3-(6-Methoxy-1H-indol-3-yl)propanoate;methyl (S)-2-amino-3-(6-methoxy-1H-indol-3-yl)propanoate;6-Methoxy-L-tryptophan methyl ester;6-Methoxy-L-tryptophan methyl ester HCl
    3. CAS NO:107447-04-1
    4. Molecular Formula: C13H16N2O3
    5. Molecular Weight: 248.27774
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 107447-04-1.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)-Methyl 2-aMino-3-(6-Methoxy-1H-indol-3-yl)propanoate(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-Methyl 2-aMino-3-(6-Methoxy-1H-indol-3-yl)propanoate(107447-04-1)
    11. EPA Substance Registry System: (S)-Methyl 2-aMino-3-(6-Methoxy-1H-indol-3-yl)propanoate(107447-04-1)
  • 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: 107447-04-1(Hazardous Substances Data)

107447-04-1 Usage

Uses

Used in Pharmaceutical Research:
(S)-Methyl 2-aMino-3-(6-Methoxy-1H-indol-3-yl)propanoate is used as a research compound for exploring its potential interactions with serotonin receptors due to its indole group. This interaction could be leveraged for the development of new therapeutic agents targeting the serotonin system.
Used in Drug Development:
In the pharmaceutical industry, (S)-Methyl 2-aMino-3-(6-Methoxy-1H-indol-3-yl)propanoate is used as a lead compound for the development of drugs with potential applications in treating neurological and psychiatric disorders. Its unique structure and chirality may offer novel mechanisms of action and selectivity in modulating neurotransmitter systems.
Used in Chemical Synthesis:
(S)-Methyl 2-aMino-3-(6-Methoxy-1H-indol-3-yl)propanoate serves as a key intermediate in the synthesis of various bioactive molecules and pharmaceuticals. Its versatile structure allows for further functionalization and modification to create a range of compounds with diverse biological activities.
Used in Chiral Chemistry:
In the field of chiral chemistry, (S)-Methyl 2-aMino-3-(6-Methoxy-1H-indol-3-yl)propanoate is used to study the effects of stereochemistry on biological activity and drug efficacy. Understanding these effects can help in the design of more effective and selective drugs with fewer side effects.

Check Digit Verification of cas no

The CAS Registry Mumber 107447-04-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,7,4,4 and 7 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 107447-04:
(8*1)+(7*0)+(6*7)+(5*4)+(4*4)+(3*7)+(2*0)+(1*4)=111
111 % 10 = 1
So 107447-04-1 is a valid CAS Registry Number.

107447-04-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-amino-3-(6-methoxy-1H-indol-3-yl)propanoate

1.2 Other means of identification

Product number -
Other names 6-methoxy-L-tryptophan methyl ester

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:107447-04-1 SDS

107447-04-1Downstream Products

107447-04-1Relevant articles and documents

Synthesis of a new inhibitor of breast cancer resistance protein with significantly improved pharmacokinetic profiles

Li, Yuexian,Woo, Jiyeon,Chmielecki, Jessica,Xia, Cindy Q.,Liao, Mingxiang,Chuang, Bei-Ching,Yang, Johnny J.,Guan, Miao Y.,Plesescu, Mihaela,Prakash, Shimoga R.

supporting information, p. 551 - 555 (2016/01/09)

The design, synthesis, in vitro inhibitory potency, and pharmacokinetic (PK) profiles of Ko143 analogs are described. Compared to commonly used Ko143, the new breast cancer resistance protein (BCRP) inhibitor (compound A) showed the same potency and a sig

Total synthesis of verruculogen and fumitremorgin a enabled by ligand-controlled C-H borylation

Feng, Yu,Holte, Dane,Zoller, Jochen,Umemiya, Shigenobu,Simke, Leah R.,Baran, Phil S.

supporting information, p. 10160 - 10163 (2015/09/01)

Verruculogen and fumitremorgin A are bioactive alkaloids that contain a unique eight-membered endoperoxide. Although related natural products such as fumitremorgins B and C have been previously synthesized, we report the first synthesis of the more complex, endoperoxide-containing members of this family. A concise route to verruculogen and fumitremorgin A relied not only on a hydroperoxide/indole hemiaminal cyclization, but also on the ability to access the seemingly simple starting material, 6-methoxytryptophan. An iridium-catalyzed C-H borylation/Chan-Lam procedure guided by an N-TIPS group enabled the conversion of a tryptophan derivative into a 6-methoxytryptophan derivative, proving to be a general way to functionalize the C6 position of an N,C3-disubstituted indole for the synthesis of indole-containing natural products and pharmaceuticals.

INHIBITOR OF BREAST CANCER RESISTANCE PROTEIN (BCRP)

-

Paragraph 00112, (2015/04/28)

Disclosed are compounds that inhibit breast cancer resistance protein (BCRP), of which compound (I-1), ((3S, 6S, 12aS)-6-isobutyl-9-methoxy-3-methyl-2,3,6,7, 12, 12a- hexahydropyrazino[1',2': 1,6]pyrido[3,4-b]indole-1,4-dione) or a pharmaceutically accept

Synthesis of potent BCRP inhibitor-Ko143

Li, Yuexian,Hayman, Erik,Plesescu, Mihaela,Prakash, Shimoga R.

, p. 1480 - 1483 (2008/09/18)

Two routes for the synthesis of potent BCRP inhibitor-Ko143 are reported. The key intermediate, 6-methoxytryptophan derivative, was synthesized by an improved procedure, ytterbium triflate-promoted coupling between 6-methoxyindole and optically active 1-b

Synthetic Approaches to Fumitremorgins. III. Synthesis of Optically Active Pentacyclic Ring Systems, and Their Oxidation at Ring C

Nakagawa, Masako,Fukushima, Hiroshi,Kawate, Tomohiko,Hongu, Mitsuya,Une, Teruaki,et al.

, p. 23 - 32 (2007/10/02)

Pictet-Spengler reaction of L-tryptophan methyl ester (9) and 6-methoxy-L-tryptophan methyl ester (40) with isovaleraldehyde (10) in methylene chloride in the presence of trifluoroacetic acid gave the cis-tetrahydro-β-carboline (11, 41) as the major isome

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