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]

CAS Number

1279713-77-7

PubChem CID

53242268

ChemSpider

30774264

ChEMBL

ChEMBL4303728

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CU-CPT4a

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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