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· · COA & SDS available for every product · Same-day shipping on in-stock items 1，2，3，4-Tetrahydro-β-carboline - ≥96% , CAS No.16502-01-5
Synonyms
1,2,3,4-Tetrahydro-beta-carboline | AKOS004119465 | THBC | 9H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro- | NC00329 | SpecPlus_000545 | BB 0260537 | KBio2_001055 | NCGC00018148-04 | Tox21_202753 | CAS-2257-09-2 | InChI=1/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-1
Storage
Protected from light,Room temperature
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Why this grade ≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Product Describtion:
Ozonolysis of the enamine bond of 1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole derivatives was studied.
Product Application:
Reactant for synthesis of the indolyl-β-carboline alkaloid eudistomin U via IBX mediated room temperature oxidative aromatization
Reactant for preparation of neuroprotective HDAC6 inhibitors
Reactant for preparation of aminofuranopyrimidines as EGFR and Aurora A kinase inhibitors
Reactant for preparation of inhibitors of CDK4
Reactant for preparation of tetrahydrocarboline derivatives of as human 5-HT5A receptor ligands
Reactant for preparation of 5-(diaminomethyl)-2,4-aminopyrimidines as dihydrofolate reductase inhibitors and antibacterial agents
Specifications Synonyms
1, 2, 3, 4-Tetrahydro-beta-carboline | AKOS004119465 | THBC | 9H-Pyrido(3, 4-b)indole, 2, 3, 4, 9-tetrahydro- | NC00329 | SpecPlus_000545 | BB 0260537 | KBio2_001055 | NCGC00018148-04 | Tox21_202753 | CAS-2257-09-2 | InChI=1/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-1
Specifications & Purity
≥96%
Storage
Protected from light, Room temperature
Names and Identifiers Pubchem Sid 488187418 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187418 Canonical Smiles C1CNCC2=C1C3=CC=CC=C3N2 IUPAC Name 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole InChIKey CFTOTSJVQRFXOF-UHFFFAOYSA-N INCHI 1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2 Isomeric SMILES C1CNCC2=C1C3=CC=CC=C3N2 WGK Germany 3 PubChem CID 107838 Molecular Weight 172.23
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Indoles and derivatives Subclass Pyridoindoles Intermediate Tree Nodes Not available Direct Parent Beta carbolines Alternative Parents 3-alkylindoles Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Beta-carboline - 3-alkylindole - Indole - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity light sensitive Molecular Weight 172.230 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 172.1 Da Monoisotopic Mass 172.1 Da Topological Polar Surface Area 27.800 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 193.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
Documents & Articles Citations of This Product References 1. Puying Qi, Hongwu Liu, Yue Li, Daiyu Tang, Lei Shao, Junjie Wang, Qifei Zhu, Taibai Jiang, Lixia Li, Shilong Jiang, Fan Wu, Yanhong Guo, Yong Liu, Lihong Shi, Yin Wang, Jun Sun. (2025) Discovering a green pesticide candidate for controlling bacterial plant disease: 1,2,3,4-tetrahydro-β-carboline as a potential biofilm inhibitor. RSC Advances, 15 (59): (51110-51119). [PMID:41450433 ] [10.1039/D5RA07526B ]
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