Soquelitinib

Soquelitinib
Identifiers
	IUPAC name N-[5-[4-methoxy-2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;
CAS Number	2226636-04-8;
PubChem CID	134517711;
DrugBank	DB18749;
ChemSpider	129629996;
UNII	6I5H17AN3I;
KEGG	D12762;
Chemical and physical data
Formula	C25H30N4O4S2
Molar mass	514.66 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)C2=C(C=C(C(=C2)SC3=CN=C(S3)NC(=O)C4CC4)C)OC;
	InChI InChI=1S/C25H30N4O4S2/c1-5-21(30)29-10-6-9-28(14-16(29)3)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17/h5,11-13,16-17H,1,6-10,14H2,2-4H3,(H,26,27,31)/t16-/m1/s1; Key:KNCWSXRTKLTULH-MRXNPFEDSA-N;

Soquelitinib (CPI-818) is an experimental drug which acts as a selective inhibitor of the enzyme interleukin-2-inducible T-cell kinase (ITK). It is in clinical trials for the treatment of T-cell lymphoma.^[1]^[2]

Related Articles

Identifiers

IUPAC name N-[5-[4-methoxy-2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CAS Number	2226636-04-8
PubChem CID	134517711
DrugBank	DB18749
ChemSpider	129629996
UNII	6I5H17AN3I
KEGG	D12762
Chemical and physical data
Formula	C₂₅H₃₀N₄O₄S₂
Molar mass	514.66 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)C2=C(C=C(C(=C2)SC3=CN=C(S3)NC(=O)C4CC4)C)OC
InChI InChI=1S/C25H30N4O4S2/c1-5-21(30)29-10-6-9-28(14-16(29)3)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17/h5,11-13,16-17H,1,6-10,14H2,2-4H3,(H,26,27,31)/t16-/m1/s1 Key:KNCWSXRTKLTULH-MRXNPFEDSA-N