Remikiren

Remikiren
Clinical data
ATC code	C09XA01 (WHO) ;
Legal status
Legal status	Investigational;
Identifiers
	IUPAC name (2S)-2-[(2R)-2-benzyl-3-(2-methylpropane-2-sulfonyl)propanamido]-N-[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-4-yl)propanamide;
CAS Number	126222-34-2 ;
PubChem CID	6324659;
DrugBank	DB00212 ;
ChemSpider	4884377 ;
UNII	LC7FBL96A4;
KEGG	D09038 ;
ChEBI	CHEBI:8803;
ChEMBL	ChEMBL31601 ;
CompTox Dashboard (EPA)	DTXSID60155121 ;
Chemical and physical data
Formula	C33H50N4O6S
Molar mass	630.85 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=S(=O)(C(C)(C)C)C[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C2CC2)Cc3cnc[nH]3)Cc4ccccc4;
	InChI InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1 ; Key:UXIGZRQVLGFTOU-VQXQMPIVSA-N ;
	(verify)

Remikiren is a renin inhibitor under development for the treatment of hypertension (high blood pressure). It was first developed by Hoffmann–La Roche in 1996.^[1]

References

^ Richter WF, Whitby BR, Chou RC (1996). "Distribution of remikiren, a potent orally active inhibitor of human renin, in laboratory animals". Xenobiotica. 26 (3): 243–54. doi:10.3109/00498259609046705. PMID 8730917.

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Clinical data

ATC code	C09XA01 (WHO)
Legal status
Legal status	Investigational
Identifiers
IUPAC name (2S)-2-[(2R)-2-benzyl-3-(2-methylpropane-2-sulfonyl)propanamido]-N-[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-4-yl)propanamide
CAS Number	126222-34-2^Y
PubChem CID	6324659
DrugBank	DB00212^Y
ChemSpider	4884377^Y
UNII	LC7FBL96A4
KEGG	D09038^Y
ChEBI	CHEBI:8803
ChEMBL	ChEMBL31601^Y
CompTox Dashboard (EPA)	DTXSID60155121
Chemical and physical data
Formula	C₃₃H₅₀N₄O₆S
Molar mass	630.85 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=S(=O)(C(C)(C)C)C[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C2CC2)Cc3cnc[nH]3)Cc4ccccc4
InChI InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1^Y Key:UXIGZRQVLGFTOU-VQXQMPIVSA-N^Y
(verify)