CAS 68808-54-8|Trp-P-1 Acetate|3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole acetate|1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine; acetic acid|1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine; acetic acid|1,4...

General Information

Structure

Molecular Formula

C₁₅H₁₇N₃O₂

Molecular Mass

271.31438

Exact Mass

271.1320768

Charge

InChI

InChI=1S/C13H13N3.C2H4O2/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12;1-2(3)4/h3-6,16H,1-2H3,(H2,14,15);1H3,(H,3,4)

InChIKey

UXNRBAJNAWIPGF-UHFFFAOYSA-N

Canonic Smiles

Nc1nc(C)c2c(c1C)[nH]c1c2cccc1.CC(=O)O

Isomeric Smiles

[nH]1c2c(c(nc(c2C)N)C)c2c1cccc2.OC(=O)C

Calculated Properties

JChem

Acid pKa

13.453126

H Acceptors

H Donor

LogD (pH = 5.5)

0.32853788

LogD (pH = 7.4)

0.4211407

Log P

2.2835364

Molar Refractivity

65.9619

Polarizability

26.940512

Polar Surface Area

54.7

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Trp-P-1 Acetate3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole acetate1,4-Dimethyl-5H-pyrido[4,3-b]indol-3-amine MonoacetateTRP-P-1, acetate3-AMINO-1,4-DIMETHYL-5H-PYRIDO-[4,3-b] INDOLE ACETATE

IUPAC Traditional name

1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine; acetic acid

IUPAC name

1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine; acetic acid

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Physical Property

Melting Point

250-260°C

Apperance

Beige-Brown Solid

Solubility

DMSO

Product Information

Purity

≥98%

Certificate of Analysis

Download link

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02154184

(Trp-P-1 Acetate) Purity: ≥98%

Apollo Scientific

OR0750T

Investigations have shown that broiled fish, fried beef, commercial beef extracts and protein pyrolysates contain Trp which is highly mutagenic in the Ames Assay.

TRC

A607500

Trp-P-1 is highly mutagenic in the Ames test. Investigations have shown that broiled fish, fried beef and commercial beef extracts, and protein pyrolysates contain this mutagen.

Molecule Details

References

PubChem Literature

From Data Sources

• Eisenbrand, et al.: Toxicology, 84, 1 (1981)

• Ohgaki, H., et al.: Carcinogenesis, 5, 921 (1981)

• Hosaka, S., et al.: Cancer Lett., 13, 23 (1981)

• Sugimura, T., et al.: Mutation Res., 290, 43 (1981)

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

Trp-P-1 Acetate3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole acetate1,4-Dimethyl-5H-pyrido[4,3-b]indol-3-amine MonoacetateTRP-P-1, acetate3-AMINO-1,4-DIMETHYL-5H-PYRIDO-[4,3-b] INDOLE ACETATE

IUPAC Traditional name

1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine; acetic acid

IUPAC name

1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine; acetic acid

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Properties

Physical Property

Melting Point

250-260°C

Apperance

Beige-Brown Solid

Solubility

DMSO

Product Information

Purity

≥98%

Certificate of Analysis

Download link

Molecule Details

MP Biomedicals

02154184

(Trp-P-1 Acetate) Purity: ≥98%

Apollo Scientific

OR0750T

Investigations have shown that broiled fish, fried beef, commercial beef extracts and protein pyrolysates contain Trp which is highly mutagenic in the Ames Assay.

TRC

A607500

Trp-P-1 is highly mutagenic in the Ames test. Investigations have shown that broiled fish, fried beef and commercial beef extracts, and protein pyrolysates contain this mutagen.

References

PubChem Literature

From Data Sources

• Eisenbrand, et al.: Toxicology, 84, 1 (1981)

• Ohgaki, H., et al.: Carcinogenesis, 5, 921 (1981)

• Hosaka, S., et al.: Cancer Lett., 13, 23 (1981)

• Sugimura, T., et al.: Mutation Res., 290, 43 (1981)

Bioactivity

PubChem BioAssay

Molecule

ID:74263