PCI-27483 - Moligand™,≥95% , Coagulation factor VII inhibitor, CAS No.871266-63-6, Coagulation factor VII inhibitor

CAS: 871266-63-6 Cat. No.: P413001 Formula: C₂₆H₂₄N₆O₉S Molecular Weight: 596.57 PubChem CID: 135425273

GRADE & PURITY Moligand™, ≥95%

Synonyms

CRA-027483 | SCHEMBL1303963 | DB13000 | AKOS032960310 | (2S)-2-[[2-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxy-5-(2-hydroxy-5-sulfamoylphenyl)phenyl]acetyl]amino]butanedioic acid | Q27263177 | AS-17004 | IBANDRONATE SODIUM [ORANGE BOOK] | (S)-2-(2

Storage

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

Shipped In

Ice chest + Ice pads

Overview

PCI-27483 is a FVIIa/tissue factor inhibitor, with antitumour effects.

Specifications

Synonyms

CRA-027483 | SCHEMBL1303963 | DB13000 | AKOS032960310 | (2S)-2-[[2-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxy-5-(2-hydroxy-5-sulfamoylphenyl)phenyl]acetyl]amino]butanedioic acid | Q27263177 | AS-17004 | IBANDRONATE SODIUM [ORANGE BOOK] | (S)-2-(2

Specifications & Purity

Moligand™,≥95%

Biochemical and Physiological Mechanisms

PCI-27483 is a reversible inhibitor of activated factor VII (factor VIIa) with potential antineoplastic and antithrombotic activities. PCI-27483 selectively inhibits factor FVIIa in the VIIa/TF complex, which may prevent PAR-2 activation and PAR2-mediated

Storage

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

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

Coagulation factor VII inhibitor

Purity

≥95%

Product Properties

• ALogP: -0.1

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=CC(=CC(=C3O)C4=C(C=CC(=C4)S(=O)(=O)N)O)CC(=O)NC(CC(=O)O)C(=O)O
• IUPAC Name: (2S)-2-[[2-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxy-5-(2-hydroxy-5-sulfamoylphenyl)phenyl]acetyl]amino]butanedioic acid
• InChIKey: WDJHHCAKBRKCLW-IBGZPJMESA-N
• INCHI: 1S/C26H24N6O9S/c27-24(28)12-1-3-17-18(8-12)32-25(31-17)16-6-11(7-21(34)30-19(26(38)39)10-22(35)36)5-15(23(16)37)14-9-13(42(29,40)41)2-4-20(14)33/h1-6,8-9,19,33,37H,7,10H2,(H3,27,28)(H,30,34)(H,31,32)(H,35,36)(H,38,39)(H2,29,40,41)/t19-/m0/s1
• Isomeric SMILES: C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=CC(=CC(=C3O)C4=C(C=CC(=C4)S(=O)(=O)N)O)CC(=O)N[C@@H](CC(=O)O)C(=O)O
• PubChem CID: 135425273
• Molecular Weight: 596.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Aspartic acid and derivatives N-acyl-L-alpha-amino acids Biphenyls and derivatives Phenylimidazoles Phenylacetamides Benzenesulfonamides Benzenesulfonyl compounds 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Dicarboxylic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Carboximidamides Carboxamidines Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Biphenyl - 2-phenylimidazole - Alpha-amino acid or derivatives - Benzenesulfonamide - Phenylacetamide - Benzenesulfonyl group - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Dicarboxylic acid or derivatives - Organosulfonic acid amide - Monocyclic benzene moiety - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Amidine - Carboxylic acid amidine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
• 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

Associated Targets(Human)

F7 Tchem Coagulation factor VII (0 Activities)

Discover Target: F7

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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 596.600 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 596.133 Da
• Monoisotopic Mass: 596.133 Da
• Topological Polar Surface Area: 291.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1150.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 871266-63-6, the molecular formula is C26H24N6O9S, and the molecular weight is 596.57 g/mol. InChIKey WDJHHCAKBRKCLW-IBGZPJMESA-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.