Icatibant Acetate

CAS: 138614-30-9

Ref. TR-I163750

Product Information

• Name: Icatibant Acetate
• Synonyms: L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2a,3aß,7aß)-octahydro-1H-indole-2-carbonyl-, acetate (salt), Firazyr, HOE 140, D-Arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-(3R)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-(2S,3aS,7aS)-octahydro-1H-indole-2-carbonyl-L-arginine Acetate Salt, D-Arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2a,3aß,7aß)-octahydro-1H-indole-2-carbonyl-L-arginine Acetate Salt,L-Arginine, D-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-(3R)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-(2S,3aS,7aS)-octahydro-1H-indole-2-carbonyl-, acetate (salt) (9CI), Hoe 140, (R)-Arginyl-(S)-arginyl-(S)-prolyl-(2S,4R)-(4-hydroxyprolyl)glycyl-(S)-(3-(2-thienyl)alanyl)-(S)-seryl-(R)-((1,2,3,4-tetrahydro-3-isoquinolyl)carbonyl)-(2S,3aS,7aS)-((hexahydro-2-indolinyl)carbonyl)-(S)-arginine acetate (salt), L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2alpha,3abeta,7abeta)-octahydro-1H-indole-2-carbonyl-, acetate (salt)

Description

Applications Icatibant Acetate is a bradykinin B2 receptor antagonist that has been recently approved for treatment of acute attacks of hereditary angioedema (HAE).
References Greve, J., et al.: Int. J. Dermatol., 50, 1294 (2011); Cole, S.W., et al.: Ann. Pharmacother., 47, 49 (2013)

• Brand: TRC

Chemical properties

• Molecular weight: 1304.54 + x(60.05)
• Formula: C₅₉H₈₉N₁₉O₁₃S·x(C₂H₄O₂)
• Color/Form: Neat
• InChI: InChI=1S/C59H89N19O13S.C2H4O2/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66;1-2(3)4/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69);1H3,(H,3,4)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+;/m0./s1
• InChI key: InChIKey=SUZVNFANVMEDPJ-JDYHPIGLSA-N
• SMILES: C=C(C)C.C=C(C)CCCC[C@@H](C)C(=C)C[C@@H](CCCCC(=C)C)C(=C)C1CCC[C@@H]1C(=C)C1C[C@H](C)C[C@@H]1C(=C)CCC(=C)C[C@@H](CC1=CC=CC1)C(=C)C[C@@H](CC)C(=C)C1Cc2ccccc2C[C@@H]1C(=C)C1[C@@H](C(=C)C[C@@H](CCCCC(=C)C)C(=C)C)C[C@]2(C)CCCC[C@]12C