CU-CPT4a

CU-CPT4a
Identifiers
	IUPAC name (2R)-2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoic acid;
CAS Number	1279713-77-7;
PubChem CID	53242268;
ChemSpider	30774264;
ChEMBL	ChEMBL4303728;
Chemical and physical data
Formula	C18H13ClFNO3S
Molar mass	377.81 g·mol−1
3D model (JSmol)	Interactive image;
	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;
	InChI 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; Key:IAASQMCXDRISAV-CYBMUJFWSA-N;

CU-CPT4a is a drug which acts as a selective antagonist of Toll-like receptor 3 (TLR3), with an IC₅₀ of 3.44 μM. It is used for research into the function of TRL3 and its role in inflammation, autoimmune disorders and cancer.^[1]^[2]

References

^ Martin-Gayo E, Cole MB, Kolb KE, Ouyang Z, Cronin J, Kazer SW, et al. (January 2018). "A Reproducibility-Based Computational Framework Identifies an Inducible, Enhanced Antiviral State in Dendritic Cells from HIV-1 Elite Controllers". Genome Biology. 19 (1): 10. doi:10.1186/s13059-017-1385-x. PMC 5789701. PMID 29378643.
^ Lomphithak T, Choksi S, Mutirangura A, Tohtong R, Tencomnao T, Usubuchi H, Unno M, Sasano H, Jitkaew S (October 2020). "Receptor-interacting protein kinase 1 is a key mediator in TLR3 ligand and Smac mimetic-induced cell death and suppresses TLR3 ligand-promoted invasion in cholangiocarcinoma". Cell Communication and Signaling. 18 (1): 161. doi:10.1186/s12964-020-00661-3. PMC 7545934. PMID 33036630.

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[1] Martin-Gayo E, Cole MB, Kolb KE, Ouyang Z, Cronin J, Kazer SW, et al. (January 2018). "A Reproducibility-Based Computational Framework Identifies an Inducible, Enhanced Antiviral State in Dendritic Cells from HIV-1 Elite Controllers". Genome Biology. 19 (1): 10. doi:10.1186/s13059-017-1385-x. PMC 5789701. PMID 29378643.

[pmid33036630-2] Lomphithak T, Choksi S, Mutirangura A, Tohtong R, Tencomnao T, Usubuchi H, Unno M, Sasano H, Jitkaew S (October 2020). "Receptor-interacting protein kinase 1 is a key mediator in TLR3 ligand and Smac mimetic-induced cell death and suppresses TLR3 ligand-promoted invasion in cholangiocarcinoma". Cell Communication and Signaling. 18 (1): 161. doi:10.1186/s12964-020-00661-3. PMC 7545934. PMID 33036630.

[1]

[2]

Identifiers

IUPAC name (2R)-2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CAS Number	1279713-77-7
PubChem CID	53242268
ChemSpider	30774264
ChEMBL	ChEMBL4303728
Chemical and physical data
Formula	C₁₈H₁₃ClFNO₃S
Molar mass	377.81 g·mol⁻¹
3D model (JSmol)	Interactive image
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
InChI 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 Key:IAASQMCXDRISAV-CYBMUJFWSA-N

CU-CPT4a

See also

References