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Basic Description
| Synonyms | SMR000339886 | MFCD00005644 | MFCD00065976 | SR-01000597217-1 | d,l-alpha-Acetylamino-3-indolepropionic acid | HMS2271L03 | acetyltryptophan | UNII-4460NBV53F | EINECS 201-739-3 | VS-00668 | AM82276 | DL-N-Acetyltryptophan | DL-Tryptophan, N-acetyl- | N-a |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at 2-8°C,Argon charged |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids |
| Alternative Parents | Indolyl carboxylic acids and derivatives 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acyl-alpha-amino acid - Indolyl carboxylic acid derivative - 3-alkylindole - Indole - Indole or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | N-acetyl-amino acid - tryptophan derivative |
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Associated Targets(Human)
A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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T47D (39041 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCT-116 (91556 Activities)
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HEK293 (82097 Activities)
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HOP-92 (41141 Activities)
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Hs-578T (29457 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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MDA-MB-435 (38290 Activities)
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MDA-N (28205 Activities)
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Malme-3M (44254 Activities)
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MDA-MB-231 (73002 Activities)
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Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 488179651 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179651 |
| IUPAC Name | 2-acetamido-3-(1H-indol-3-yl)propanoic acid |
| INCHI | InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) |
| InChIKey | DZTHIGRZJZPRDV-UHFFFAOYSA-N |
| Smiles | CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O |
| Isomeric SMILES | CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 246.26 |
| Beilstein | 89478 |
| Reaxy-Rn | 487262 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=487262&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1507003 |
Certificate of Analysis | Apr 12, 2023 | A100466 |
| B2321096 |
Certificate of Analysis | Feb 28, 2023 | A100466 |
| B2321118 |
Certificate of Analysis | Feb 27, 2023 | A100466 |
| B2321237 |
Certificate of Analysis | Feb 27, 2023 | A100466 |
| B2321236 |
Certificate of Analysis | Feb 25, 2023 | A100466 |
| K2201121 |
Certificate of Analysis | Sep 17, 2022 | A100466 |
| K2201141 |
Certificate of Analysis | Sep 17, 2022 | A100466 |
| K2201115 |
Certificate of Analysis | Sep 17, 2022 | A100466 |
| H1809090 |
Certificate of Analysis | Jun 15, 2022 | A100466 |
| G1802135 |
Certificate of Analysis | May 11, 2022 | A100466 |
| G1802134 |
Certificate of Analysis | May 05, 2022 | A100466 |
| G1802136 |
Certificate of Analysis | May 05, 2022 | A100466 |
| H2217006 |
Certificate of Analysis | Dec 10, 2021 | A100466 |
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Chemical and Physical Properties
| Solubility | Soluble in 1N Sodium Hydroxide, water, and methanol. |
|---|---|
| Sensitivity | light sensitive,air sensitive |
| Melt Point(°C) | 204-206°C |
| Molecular Weight | 246.260 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 246.1 Da |
| Monoisotopic Mass | 246.1 Da |
| Topological Polar Surface Area | 82.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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