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CU CPT 4a

CAS 1279713-77-7Formula C18H13ClFNO3SMW 377.8PubChem 53242268

CU CPT 4a (CAS 1279713-77-7), also known as TLR3-IN-1, is a research chemical with the molecular formula C18H13ClFNO3S. It is recognized as a potential Toll-like receptor 3 (TLR3) inhibitor, primarily used in research settings.

Loading RDKit molecule structure...
InChIKey: IAASQMCXDRISAV-CYBMUJFWSA-NC18H13ClFNO3S | MW 377.8

Chemical Identity

Molecular Formula

C18H13ClFNO3S

Molecular Weight

377.8 g/mol

Exact Mass

377.02887

PubChem CID

53242268

IUPAC Name

(2R)-2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoic acid

SMILES String

O=C(N[C@H](Cc1ccccc1)C(=O)O)c1sc2cc(F)ccc2c1Cl

Names & Synonyms

CUCPT4aCU-CPT 4aTLR3-IN-1(3-Chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-D-phenylalanineN-[(3-Chloro-6-fluorobenzo[b]thien-2-yl)carbonyl]-D-phenylalanine
Show all synonyms
(R)-2-(3-chloro-6-fluorobenzo[b]thiophene-2-carboxamido)-3-phenylpropanoic acidCU-CPT-4aC18H13ClFNO3S(2R)-2-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)formamido]-3-phenylpropanoic acidIAASQMCXDRISAV-CYBMUJFWSA-NG79325T22698Z1455307450
External Identifiers
CHEMBL4303728MFCD27991282orb1305845SCHEMBL11951242DTXSID301336697GLXC-04629BDBM50622091AKOS024458396EBC-671081NCGC00379226-01DA-62527MS-26156HY-108473CS-0028898

Catalog Overview

CU CPT 4a, identified by CAS 1279713-77-7 and PubChem CID 53242268, is an organic compound with the IUPAC name (2R)-2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoic acid. With a molecular weight of 377.80, this compound is also known as TLR3-IN-1, indicating its potential role as an inhibitor of Toll-like receptor 3. It belongs to the research-oriented/research-oriented structural class and is provided for research use only.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

185.0 °C

Boiling Point

450.0 °C

Density

1.54 g/cm³

Water Solubility

Sparingly soluble

Flash Point

335.3 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact. Refer to a Safety Data Sheet (SDS) for detailed safety information and proper disposal procedures.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

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