CU CPT 4a - ≥98%(HPLC) , CAS No.1279713-77-7

CAS: 1279713-77-7 Cat. No.: C286868 Formule: C₁₈H₁₃ClFNO₃S Poids moléculaire: 377.82

GRADE & PURITY ≥98%(HPLC)

Synonyms

EC-000.2521 | CUCPT4a | CU-CPT-4a | TLR3-IN-1 | DTXSID301336697 | HY-108473 | (2R)-2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoic acid | IAASQMCXDRISAV-CYBMUJFWSA-N | CU CPT 4a | NCGC00379226-01 | MS-26156 | SCHEMBL11951242 | (

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Product description

CU-CPT 4a (TLR3-IN-1) is a potent, highly selective TLR3 signaling inhibitor. CU-CPT 4a represses the expression of downstream signaling pathways mediated by the TLR3/dsRNA complex, including TNF-α and IL-1β .

Specifications

Synonymes

EC-000.2521 | CUCPT4a | CU-CPT-4a | TLR3-IN-1 | DTXSID301336697 | HY-108473 | (2R)-2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoic acid | IAASQMCXDRISAV-CYBMUJFWSA-N | CU CPT 4a | NCGC00379226-01 | MS-26156 | SCHEMBL11951242 | (

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Selective TLR3 inhibitor (IC50= 3.44μM in RAW 264.7 cells); suppresses downstream signaling pathways mediated by the TLR3/dsRNA complex, inhibiting TNF-αand IL-1βproduction in whole cells. Reduces death of crypt cells and improves gastrointestinal syndrom

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 528763830
• Sourires canoniques: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl
• IUPAC Name: (2R)-2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
• InChIKey: IAASQMCXDRISAV-CYBMUJFWSA-N
• INCHI: 1S/C18H13ClFNO3S/c19-15-12-7-6-11(20)9-14(12)25-16(15)17(22)21-13(18(23)24)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H,21,22)(H,23,24)/t13-/m1/s1
• Isomères SMILES: C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl
• Poids moléculaire: 377.82
• Reaxy-Rn: 51758194
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51758194&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: N-acyl-alpha amino acids Phenylpropanoic acids Amphetamines and derivatives 1-benzothiophenes Thiophene carboxamides 2-heteroaryl carboxamides Aryl chlorides Aryl fluorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzothiophene - 1-benzothiophene - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 37.78, Max Conc. mM: 100
• Poids moléculaire: 377.800 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 377.029 Da
• Monoisotopic Mass: 377.029 Da
• Topological Polar Surface Area: 94.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 503.000
• 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