Icatibant Acetate is the acetate salt form of icatibant, an antagonist of the human bradykinin B2 receptor (B2R).
CAT No: HB00111
CAS No: 138614-30-9
Synonyms/Alias: Icatibant acetate;Firazyr;Hoe-140;138614-30-9;Icatibant (acetate);Icatibant acetate [USAN];UNII-325O8467XK;Hoechst 140;325O8467XK;HOE 140;HOE140;(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);ICATIBANT ACETATE (MART.);ICATIBANT ACETATE [MART.];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;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);Hoechst-140;Icatibant acetate?;(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);JE-049;SAJAZIR;JE049;ICATIBANT ACETATE [MI];ICATIBANT ACETATE [JAN];CHEMBL2028852;ICATIBANT ACETATE [WHO-DD];138614-30-9 , xAcetate;AKOS040745043;ICATIBANT ACETATE [ORANGE BOOK];DA-54232;MS-32135;HY-108896;CS-0031296;Q27256146;(R)-arginyl-(S)-arginyl-()-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;D-Arginyl-L-arginyl-L-prolyl-(R)-4-hydroxy-L-prolylglycyl-3-(thiophen-2-yl)-L-alanyl-L-seryl-(R)-((1,2,3,4-tetrahydroisoquinolin-3-yl)carbonyl)-(2S,3aS,7aS)-((hexahydroindolin-2-yl)carbonyl)-L-arginine triacetate;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-(2.ALPHA.,3A.BETA.,7A.BETA.)-OCTAHYDRO-1H-INDOLE-2-CARBONYL-, ACETATE (SALT);
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M.F/Formula | C61H93N19O15S |
M.W/Mr. | 1364.6 |
Sequence | One Letter Code:RRPXGXSXXR Three Letter Code:H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Ser-D-Tic-Oic-Arg-OH.CH3CO2H |
Application | Three Letter Code: D-Arg-L-Arg-L-Pro-L-Hyp-Gly-L-(2-thienyl)Ala-L-Ser-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2α,3β,7aβ)-octahydro-1H-indole-2-carbonyl-L-Arg |
Activity | Antagonist |
Biological Activity | Icatibant acetate (HOE-140 acetate) is a potent and specific peptide antagonist of bradykinin B2 receptor with an IC50 and Ki of 1.07 nM and 0.798 nM respectively. |
Target | Bradykinin Receptor |
Shipping Condition | Room temperature in continental US; may vary elsewhere. |
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 | HKMZRZUEADSZDQ-DZJWSCHMSA-N |
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