CU CPT 4a

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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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