Icatibant acetate

Cas No.:	138614-30-9
Chemical Name:	(2S)-2-[[(3aS,7aS)-1-[2-[(2S)-2-[[(2S)-2-[[2-[[(4R)-1-[1-[2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxy-pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-yl-propan
Synonyms:	Icatibant Acetate;Firazyr;HOE 140
SMILES:	CC(O)=O.OC[C@H](NC([C@@H](NC(CNC([C@H]1N(C([C@H]2N(C(CNC(CCCCNC(N)=N)=O)=O)CCC2)=O)CCC1)=O)=O)CC1SC=CC=1)=O)C(N1C(C(N2[C@H](C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)C[C@H]3[C@@H]2CCCC3)=O)CC2=C(C=CC=C2)C1)=O
Formula:	C61H93N19O15S
M.Wt:	1364.57
Sotrage:	2 years -20°C powder, 2 weeks 4°C in DMSO, 6 months -80°C in DMSO

Description:	Icatibant acetate (HOE-140 acetate) is a potent and specific peptide antagonist of bradykinin B2 receptor with IC50 and Ki of 1.07 nM and 0.798 nM respectively[1][2][3].
In Vivo:	Icatibant (10-30 μM) potentiates angiotensin III, but not angiotensin II (contraction mediated by angiotensin AT1 receptors), and Lys-des-Arg9-bradykinin, but not des-Arg9-bradykinin (effects mediated by the bradykinin B1 receptors)[3]. Animal Model: Female mice of the CBA/J (H-2k) strain[2]. Dosage: 0.06, 0.3, or 1.5 mg/kg. Administration: Subcutaneous administration twice daily. Result: The length of the large intestine was 93.6±6.8 mm with the 1.5 mg/kg dosage and 94.0±4.1 mm with the 0.3 mg/kg dosage , showing a significant preventive effect on shortening.
In Vitro:	Icatibant (10-30 μM) potentiates angiotensin III, but not angiotensin II (contraction mediated by angiotensin AT1 receptors), and Lys-des-Arg9-bradykinin, but not des-Arg9-bradykinin (effects mediated by the bradykinin B1 receptors)[3].