FAPI-46 - ≥99% , CAS No.2374782-04-2

CAS: 2374782-04-2 Cat. No.: F650690 Formula: C₄₁H₅₇F₂N₁₁O₉ Molecular Weight: 885.96 PubChem CID: 139400499

GRADE & PURITY ≥99%

Synonyms

2374782-04-2 | 59QC5DY68A | AKOS040757603 | FAPI-46 | SCHEMBL21257093 | MS-31645 | EX-A5968 | [10-[2-[4-[3-[[4-[[[2-[(2S)-2-Cyano-4,4-difluoro-1-pyrrolidinyl]-2-oxoethyl]amino]carbonyl]-6-quinolinyl]methylamino]propyl]-1-piperazinyl]-2-oxoethyl]-1,4,7,10-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

FAPI-46 is a quinoline-based fibroblast activation protein (FAP) -targeted radiotracer. FAPI-46 has higher tumor uptake and prolonged tumor accumulation. FAPI-46 can be used for tumor imaging of a multitude of different cancers

In Vitro

FAPI-46 (1-24 h) robustly binds to human FAP in human FAP-expressing HT-1080 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

FAPI-46 (i.v.) shows improved ratios of tumor to liver, kidney, and brain uptake, resulting in an enhanced image contrast for PET imaging . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:fibroblast activation protein (FAP)

Specifications

Synonyms

2374782-04-2 | 59QC5DY68A | AKOS040757603 | FAPI-46 | SCHEMBL21257093 | MS-31645 | EX-A5968 | [10-[2-[4-[3-[[4-[[[2-[(2S)-2-Cyano-4,4-difluoro-1-pyrrolidinyl]-2-oxoethyl]amino]carbonyl]-6-quinolinyl]methylamino]propyl]-1-piperazinyl]-2-oxoethyl]-1,4,7,10-

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

FAPI-46 is a quinoline-based fibroblast activation protein (FAP) -targeted radiotracer. FAPI-46 has higher tumor uptake and prolonged tumor accumulation. FAPI-46 can be used for tumor imaging of a multitude of different cancers.

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Canonical Smiles

CN(CCCN1CCN(CC1)C(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)C3=CC4=C(C=CN=C4C=C3)C(=O)NCC(=O)N5CC(CC5C#N)(F)F

IUPAC Name

2-[4,7-bis(carboxymethyl)-10-[2-[4-[3-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]-methylamino]propyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

InChIKey

SDBGUEFOSXNKBX-HKBQPEDESA-N

INCHI

1S/C41H57F2N11O9/c1-47(30-3-4-34-33(21-30)32(5-6-45-34)40(63)46-24-35(55)54-29-41(42,43)22-31(54)23-44)7-2-8-48-17-19-53(20-18-48)36(56)25-49-9-11-50(26-37(57)58)13-15-52(28-39(61)62)16-14-51(12-10-49)27-38(59)60/h3-6,21,31H,2,7-20,22,24-29H2,1H3,(H,46,63)(H,57,58)(H,59,60)(H,61,62)/t31-/m0/s1

Isomeric SMILES

CN(CCCN1CCN(CC1)C(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)C3=CC4=C(C=CN=C4C=C3)C(=O)NCC(=O)N5CC(C[C@H]5C#N)(F)F

Alternate CAS

2374782-04-2

PubChem CID

139400499

MeSH Entry Terms

(68Ga)-FAPI-46;68Ga-FAPI-46;FAPI-46

Molecular Weight

885.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino 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
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Quinoline carboxamides Alpha amino acid amides Aminoquinolines and derivatives Alpha amino acids Tricarboxylic acids and derivatives Pyridinecarboxylic acids and derivatives N-acylpyrrolidines Dialkylarylamines N-alkylpiperazines Methylpyridines Hydroxypyridines N-acyl amines Benzenoids Tertiary carboxylic acid amides Secondary ketimines Heteroaromatic compounds Trialkylamines Amino acids Propargyl-type 1,3-dipolar organic compounds Nitriles Enamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-4-carboxamide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Aminoquinoline - Quinoline - Alpha-amino acid - Tricarboxylic acid or derivatives - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-acylpyrrolidine - Methylpyridine - Hydroxypyridine - N-alkylpiperazine - Benzenoid - Pyridine - Piperazine - N-acyl-amine - 1,4-diazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary ketimine - Pyrrolidine - Amino acid - Tertiary aliphatic amine - Tertiary amine - Ketimine - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Enamine - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: H2O : 100 mg/mL (112.87 mM; Need ultrasonic) DMSO : 100 mg/mL (112.87 mM; Need ultrasonic)

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2374782-04-2, the molecular formula is C41H57F2N11O9, and the molecular weight is 885.96 g/mol. InChIKey SDBGUEFOSXNKBX-HKBQPEDESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.