TAK 044

• CAT Number: M094953
• CAS Number: 157380-72-8
• Molecular Formula: C45H51N9Na2O11S
• Molecular Weight: 971.99
• Purity: ≥95%
• Synonyms: TAK 044
• Target: Endothelin Receptor
• Storage: Store at -20°C
• IUPAC Name: disodium;2-[(2R,5S,8S,11S,14S,17R)-8-(carboxylatomethyl)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetate
• InChI: InChI=1S/C45H53N9O11S.2Na/c1-25(2)19-30-40(60)47-31(20-26-24-46-29-12-7-6-11-28(26)29)41(61)49-33(22-37(56)57)43(63)48-32(21-36(55)54-16-14-53(15-17-54)27-9-4-3-5-10-27)42(62)50-34(23-38(58)59)44(64)52-39(45(65)51-30)35-13-8-18-66-35;;/h3-13,18,24-25,30-34,39,46H,14-17,19-23H2,1-2H3,(H,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,65)(H,52,64)(H,56,57)(H,58,59);;/q;2*+1/p-2/t30-,31+,32-,33+,34-,39+;;/m0../s1
• InChIKey: UWHBIISPHYTOGL-PFSAEEMXSA-L
• SMILES: CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C2=CC=CS2)CC(=O)[O-])CC(=O)N3CCN(CC3)C4=CC=CC=C4)CC(=O)[O-])CC5=CNC6=CC=CC=C65.[Na+].[Na+]

TAK-044（Cat No.:M094953）is a potent non-peptide endothelin receptor antagonist, primarily used in cardiovascular research. It effectively blocks endothelin-1 receptors, reducing vasoconstriction and alleviating conditions like hypertension and heart failure. This compound’s high specificity and efficacy make it invaluable in studying the endothelin pathway’s role in cardiovascular diseases. TAK-044 is essential for developing therapeutic strategies targeting vascular dysfunctions, offering significant potential for treating pulmonary arterial hypertension and other cardiovascular disorders. Its application in preclinical and clinical studies supports advancements in cardiovascular pharmacotherapy and patient care.