FAPI-4 TFA salt - Moligand™, ≥98% , CAS No.2374782-02-0(free base)

CAS: 2374782-02-0(free base) Cat. No.: F648286 分子式: C₄₀H₅₄F₂N₁₀O₁₀(free base) 分子量: 872.91(free base)

グレード＆純度 Moligand™, ≥98%

Synonyms

MS-31619 | FAPI-04 | FAPI-4 | ICWDAESAANBIGG-LJAQVGFWSA-N | AT39479 | DOTA-fapi-04 | EX-A5967 | 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]oxypropyl]piperazin-1-yl]-2-oxoethyl

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

FAPI-4 FAPI-4 is a fibroblast activating protein (FAP) inhibitor, a FAPI ligand, which shows strong liver uptake in PET imaging of primary liver cancer hepatocellular carcinoma (HCC) and is commonly used in PET imaging for the study of cancer.

仕様

同義語

MS-31619 | FAPI-04 | FAPI-4 | ICWDAESAANBIGG-LJAQVGFWSA-N | AT39479 | DOTA-fapi-04 | EX-A5967 | 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]oxypropyl]piperazin-1-yl]-2-oxoethyl

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

FAPI-4 is a potent fibroblast activation protein ( FAP ) inhibitor for the targeting FAP . FAPI-4 can be used in cancer research. 68 Ga-FAPI-4 PET/CT is a promising new diagnostic method for imaging various kinds of cancer , with good tumor-to-background

保管条件

Protected from light,Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

カノニカル・スマイル

C1CN(CCN1CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(CC4C#N)(F)F)C(=O)CN5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O

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]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

InChIKey

ICWDAESAANBIGG-LJAQVGFWSA-N

INCHI

1S/C40H54F2N10O10/c41-40(42)21-29(22-43)52(28-40)34(53)23-45-39(61)31-4-5-44-33-3-2-30(20-32(31)33)62-19-1-6-46-15-17-51(18-16-46)35(54)24-47-7-9-48(25-36(55)56)11-13-50(27-38(59)60)14-12-49(10-8-47)26-37(57)58/h2-5,20,29H,1,6-19,21,23-28H2,(H,45,61)(H,55,56)(H,57,58)(H,59,60)/t29-/m0/s1

分子量

872.91(free base)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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 Alpha amino acids Tricarboxylic acids and derivatives Pyridinecarboxylic acids and derivatives N-acylpyrrolidines N-alkylpiperazines Hydroxypyridines Alkyl aryl ethers N-acyl amines Benzenoids Tertiary carboxylic acid amides Secondary ketimines Heteroaromatic compounds Trialkylamines Amino acids Propargyl-type 1,3-dipolar organic compounds Nitriles Carboxylic acids Azacyclic compounds Organopnictogen 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 - Quinoline - Alpha-amino acid - Tricarboxylic acid or derivatives - Pyridine carboxylic acid or derivatives - N-acylpyrrolidine - Hydroxypyridine - N-alkylpiperazine - Alkyl aryl ether - 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 - Ether - 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (114.56 mM; Need ultrasonic)
• 感度: Light sensitive
• 分子量: 872.900 g/mol
• XLogP3: -6.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 16
• Exact Mass: 872.399 Da
• Monoisotopic Mass: 872.399 Da
• Topological Polar Surface Area: 244.000 Ų
• Heavy Atom Count: 62
• Formal Charge: 0
• Complexity: 1580.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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