Helen Frankenthaler Foundation

IAPP aggregation inhibitor screening compound

Icatibant (acetate) (CAS 138614-30-9)

eriocitrin cas no 13463 28 0 molecular research

Icatibant (acetate)

A synthetic peptide antagonist of the bradykinin B 2 receptor

Technical Information

Formal NameD-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-(3R)-1,2,3,4-tetra hydro-3-iso quinolinecarbonyl-(2S,3aS,7aS)-octahydro-1H-indole-2-carbonyl-L-arginine, acetate
CAS Number138614-30-9
Synonyms
  • HOE 140
Molecular FormulaC 59 H 89 N 19 O 13 S • XC 2 H 4 O 2
Formula Weight1304.5
Purity≥98%
FormulationA crystalline solid
SolubilityDMF: 30 mg/ml DMSO: 30 mg/ml Ethanol: 0.25 mg/ml PBS (pH 7.2): 10 mg/ml
SMILESO=C(N1[C@](CCCC2)([H])[C@]2([H])C[C@H]1C(N[C@H](C(O)=O)CCCNC(N)=N)=O)[C@@H]3N(C([C@H](CO)NC([C@H](CC4=CC=CS4)NC(CNC([C@@H]5C[C@@H](O)CN5C([C@H]6N(C([C@@H](NC([C@H](N)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CCC6)=O)=O)=O)=O)=O)CC7=C(C=CC=C7)C3.OC(C)=O
InChi CodeInChI=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 KeyHKMZRZUEADSZDQ-DZJWSCHMSA-N

Shipping & Storage Information

Storage-20°C
ShippingRoom temperature in continental US; may vary elsewhere
Product Description

Icatibant is a synthetic peptide antagonist of the bradykinin B 2 receptor with IC 50 and K i values of 1.07 and 0.798 nM, respectively, in guinea pig ileal cell membranes.