Basic information
- CAS
62450-07-1- Standard SMILES
Cc1nc(N)cc2[nH]c3ccccc3c12- InChIKey
LKKMLIBUAXYLOY-UHFFFAOYSA-N- Molecular formula
- C12H11N3
- Average molar mass
- 197.24 g/mol
- Monoisotopic mass
- 197.09529736
Overview
Trp-P-2 (Tryptophan-P-2) can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- 3-Amino-1-methyl-5H-pyrido(4,3-b)indole
- IUPAC
- 1-methyl-5H-pyrido[4,3-b]indol-3-amine
- English name
- Trp-P-2
- Molecular formula
- C12H11N3
- Molecular weight
- 197.24
Names & synonyms
Trp-P-23-Amino-1-methyl-5H-pyrido[4,3-b]indole62450-07-11-methyl-5H-pyrido[4,3-b]indol-3-amineTryptophan-P-2Trp-23-Amino-1-methyl-gamma-carboline3-AMINO-1-METHYL-5H-PYRIDO(4,3-B)INDOLE1-Methyl-3-amino-5H-pyrido(4,3-b)indole1-Methyl-9H-pyrido(4,3-b)indol-3-amine775UJ9HCTR5H-Pyrido(4,3-b)indol-3-amine, 1-methyl-
Show more names
3-AMINO-1-METHYL-PYRIDO(4,3-B)INDOLE2-Amino-4-methyl-3,9-diaza-9H-fluorene3-AMINO-1-METHYL-5-PYRIDO(4,3-B)INDOLE1-Methyl-3-aMino-5H-pyrido[4,3-b]indole5H-Pyrido[4,3-b]indol-3-amine, 1-methyl-3-AMINO-1-METHYL-5H-PYRIDO(4,3-BETA)INDOLE3-Amino-1-methyl-5H-pyrido[4,3-b]indole Discontinued. See A618001
DTXSID50437681-Methyl-5H-Pyrido(4,3-b)indol-3-amineRefChem:92851DTXCID3023768Tryptophan P2Trytophan pyrolysate 2Rp-P-2CHEMBL365481
Database identifiers
- CAS
62450-07-1- PubChem CID
- 5284476
- DTXSID
DTXSID5043768- ChEMBL
CHEMBL365481- ChEBI
CHEBI:34328- UNII
- 775UJ9HCTR
- Nikkaji
- J1.109F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
Melting Point242 - 247 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Boiling point
- 324.34 °C · 324.34°C (rough estimate)
- Density
- 1.1793 · 1.1793 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- 15.59 · 15.59±0.40(Predicted)
- FDA UNII
- 775 UJ9HCTR · 775UJ9HCTR
- IARC
- 2 B · 2B (Vol. 31, Sup 7) 1987
- EPA Substance Registry System
- -2 · Tryptophan-P-2 (62450-07-1)
- RIDADR
- 2811 · 2811
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Toxicology
Carcinogen Classification
Trp-P-2 (3-Amino-1-methyl-5H-pyrido[4,3-b]indole)
Group 2B: Possibly carcinogenic to humans
Volume 31: (1983) Some Food Additives, Feed Additives and Naturally Occurring Substances
1987
1987
RAIS Toxicity Values
0.00091
CALEPA
3.2
CALEPA
Safety data
- ridadr
- 2811
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Cellular LocationsCytoplasm
Applications
UsesCarcinogen
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 3-Amino-1-methyl-5H-pyrido[4,3-b]indole is a pyridoindole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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