GPI-1046 - Moligand™, ≥98% , Inhibitor of FKBP prolyl isomerase 8, CAS No.186452-09-5, Inhibitor of FKBP prolyl isomerase 8

CAS: 186452-09-5 Cat. No.: G610630 Molecular Weight: 360.45 PubChem CID: 445501

GRADE & PURITY Moligand™, ≥98%

Synonyms

AM84643 | GPI | (S)-3-(PYRIDINE-3-YL)PROPYL 1-(3,3-DIMETHYL-2-OXOPENTANOYL)PYRROLIDINE-2-CARBOXYLATE | AKOS015994582 | (S)-3-(Pyridin-3-yl)propyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate | 3-(3-pyridyl)-1-propyl (2s)-1-(3,3-dimethyl-1,2-di

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

FAPI-46 is a quinoline-based radiotracer targeting fibroblast activating protein (FAP). FAPI-46 has a higher tumor absorption rate and increased tumor accumulation time. FAPI-46 can be used for tumor imaging in many different cancers

Specifications

Synonyms

AM84643 | GPI | (S)-3-(PYRIDINE-3-YL)PROPYL 1-(3, 3-DIMETHYL-2-OXOPENTANOYL)PYRROLIDINE-2-CARBOXYLATE | AKOS015994582 | (S)-3-(Pyridin-3-yl)propyl 1-(3, 3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate | 3-(3-pyridyl)-1-propyl (2s)-1-(3, 3-dimethyl-1, 2-di

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of FKBP prolyl isomerase 8

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758842
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758842
• Canonical Smiles: CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CN=CC=C2
• IUPAC Name: 3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate
• InChIKey: OQAHHWOPVDDWHD-INIZCTEOSA-N
• INCHI: 1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1
• Isomeric SMILES: CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCC2=CN=CC=C2
• PubChem CID: 445501
• Molecular Weight: 360.45

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
              • Level8 N-acyl-alpha amino acids

• 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 - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Proline and derivatives Alpha amino acid esters Pyrrolidine carboxylic acids N-acylpyrrolidines Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - N-acyl-alpha-amino acid - Proline or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Ketone - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: L-proline derivative - alpha-amino acid ester - N-acylpyrrolidine

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

Associated Targets(Human)

FKBP8 Tbio Peptidyl-prolyl cis-trans isomerase FKBP8 (0 Activities)

Discover Target: FKBP8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FKBP1A Tclin Peptidyl-prolyl cis-trans isomerase FKBP1A (3 Activities)

Discover Target: FKBP1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FKBP1A Tclin FK506-binding protein 1A (1014 Activities)

Discover Target: FKBP1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

Discover Target: MTOR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FKBP4 Tchem FK506 binding protein 4 (257 Activities)

Discover Target: FKBP4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FKBP5 Tchem Peptidyl-prolyl cis-trans isomerase FKBP5 (259 Activities)

Discover Target: FKBP5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Gallus gallus (1187 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive；Moisture Sensitive
• Molecular Weight: 360.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 360.205 Da
• Monoisotopic Mass: 360.205 Da
• Topological Polar Surface Area: 76.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 518.000
• 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